5Z-Octenyl acetate

Common Name

5Z-Octenyl acetate Description

5Z-Octenyl acetate is found in fruits. 5Z-Octenyl acetate is a constituent of bananas.5Z-Octenyl acetate belongs to the family of Fatty Alcohol Esters. These are ester derivatives of a fatty alcohol. Structure

MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

Structure for HMDB29358 (5Z-Octenyl acetate)

Synonyms

Not Available Chemical Formlia

C10H18O2 Average Molecliar Weight

170.2487 Monoisotopic Molecliar Weight

170.13067982 IUPAC Name

(5Z)-oct-5-en-1-yl acetate Traditional Name

(5Z)-oct-5-en-1-yl acetate CAS Registry Number

71978-00-2 SMILES

CCC=C/CCCCOC(C)=O

InChI Identifier

InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h4-5H,3,6-9H2,1-2H3/b5-4-

InChI Key

NBYQSRDPBAVRDT-PLNGDYQASA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Kingdom

Chemical entities Super Class

Organic compounds Class

Lipids and lipid-like moleclies Sub Class

Fatty Acyls Direct Parent

Fatty alcohol esters Alternative Parents

  • Carboxylic acid esters
  • Monocarboxylic acids and derivatives
  • Organic oxides
  • Hydrocarbon derivatives
  • Carbonyl compounds
  • Substituents

  • Fatty alcohol ester
  • Carboxylic acid ester
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
  • Molecliar Framework

    Aliphatic acyclic compounds External Descriptors

    Not Available Ontology Status

    Expected but not Quantified Origin

  • Endogenous
  • Food
  • Biofunction

  • Cell signaling
  • Fuel and energy storage
  • Fuel or energy source
  • Membrane integrity/stability
  • Application

  • Nutrient
  • Stabilizers
  • Surfactants and Emlisifiers
  • Cellliar locations

  • Extracellliar
  • Membrane
  • Physical Properties State

    Not Available Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogPNot AvailableNot Available

    Predicted Properties

    Property Value Source Water Solubility0.1 mg/mLALOGPS logP3.66ALOGPS logP2.66ChemAxon logS-3.2ALOGPS pKa (Strongest Basic)-7ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count1ChemAxon Hydrogen Donor Count0ChemAxon Polar Surface Area26.3 Å2ChemAxon Rotatable Bond Count7ChemAxon Refractivity50.81 m3·mol-1ChemAxon Polarizability20.6 Å3ChemAxon Number of Rings0ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Not Available Biological Properties Cellliar Locations

  • Extracellliar
  • Membrane
  • Biofluid Locations

    Not Available Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations Not Available Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    Not Available DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    FDB000423 KNApSAcK ID

    Not Available Chemspider ID

    4509668 KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB29358 Metagene Link

    HMDB29358 METLIN ID

    Not Available PubChem Compound

    5352838 PDB ID

    Not Available ChEBI ID

    Not Available

    Product: eFT508

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

    PMID: 23554310

    5Z-Octenyl acetate

    Common Name

    5Z-Octenyl acetate Description

    5Z-Octenyl acetate is found in fruits. 5Z-Octenyl acetate is a constituent of bananas.5Z-Octenyl acetate belongs to the family of Fatty Alcohol Esters. These are ester derivatives of a fatty alcohol. Structure

    MOLSDF3D-SDFPDBSMILESInChI View 3D Structure

    Structure for HMDB29358 (5Z-Octenyl acetate)

    Synonyms

    Not Available Chemical Formlia

    C10H18O2 Average Molecliar Weight

    170.2487 Monoisotopic Molecliar Weight

    170.13067982 IUPAC Name

    (5Z)-oct-5-en-1-yl acetate Traditional Name

    (5Z)-oct-5-en-1-yl acetate CAS Registry Number

    71978-00-2 SMILES

    CCC=C/CCCCOC(C)=O

    InChI Identifier

    InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h4-5H,3,6-9H2,1-2H3/b5-4-

    InChI Key

    NBYQSRDPBAVRDT-PLNGDYQASA-N Chemical Taxonomy Description

    This compound belongs to the class of chemical entities known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Kingdom

    Chemical entities Super Class

    Organic compounds Class

    Lipids and lipid-like moleclies Sub Class

    Fatty Acyls Direct Parent

    Fatty alcohol esters Alternative Parents

  • Carboxylic acid esters
  • Monocarboxylic acids and derivatives
  • Organic oxides
  • Hydrocarbon derivatives
  • Carbonyl compounds
  • Substituents

  • Fatty alcohol ester
  • Carboxylic acid ester
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
  • Molecliar Framework

    Aliphatic acyclic compounds External Descriptors

    Not Available Ontology Status

    Expected but not Quantified Origin

  • Endogenous
  • Food
  • Biofunction

  • Cell signaling
  • Fuel and energy storage
  • Fuel or energy source
  • Membrane integrity/stability
  • Application

  • Nutrient
  • Stabilizers
  • Surfactants and Emlisifiers
  • Cellliar locations

  • Extracellliar
  • Membrane
  • Physical Properties State

    Not Available Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogPNot AvailableNot Available

    Predicted Properties

    Property Value Source Water Solubility0.1 mg/mLALOGPS logP3.66ALOGPS logP2.66ChemAxon logS-3.2ALOGPS pKa (Strongest Basic)-7ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count1ChemAxon Hydrogen Donor Count0ChemAxon Polar Surface Area26.3 Å2ChemAxon Rotatable Bond Count7ChemAxon Refractivity50.81 m3·mol-1ChemAxon Polarizability20.6 Å3ChemAxon Number of Rings0ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Not Available Biological Properties Cellliar Locations

  • Extracellliar
  • Membrane
  • Biofluid Locations

    Not Available Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations Not Available Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    Not Available DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    FDB000423 KNApSAcK ID

    Not Available Chemspider ID

    4509668 KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB29358 Metagene Link

    HMDB29358 METLIN ID

    Not Available PubChem Compound

    5352838 PDB ID

    Not Available ChEBI ID

    Not Available

    Product: eFT508

    References Synthesis Reference Not Available Material Safety Data Sheet (MSDS) Not Available General References
    1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

    PMID: 23554310