| Common Name |
Hexakis(2-methyl-2-phenylpropyl)distannoxane
| Description |
Miticide for use on fruit and vegetable cropsHexakis(2-methyl-2-phenylpropyl)distannoxane belongs to the family of Cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB31788 (Hexakis(2-methyl-2-phenylpropyl)distannoxane)
| Synonyms |
| Value |
Source |
Bis(tris(2-methyl-2-phenylpropyl)tin)oxideChEBI
Bis[tris(2-methyl-2-phenylpropyl)tin]oxideChEBI
Di(tri-(2,2-dimethyl-2-phenylethyl)tin)oxideChEBI
Hexakis(beta,beta-dimethylphenethyl)distannoxaneChEBI
SD 14114ChEBI
TorqueChEBI
VendexChEBI
Hexakis(b,b-dimethylphenethyl)distannoxaneGenerator
Hexakis(β,β-dimethylphenethyl)distannoxaneGenerator
1,1,1,3,3,3-Hexakis(2-methyl-2-phenylpropyl)-distannoxaneHMDB
2-(Methyl-2-phenylpropyl)distannoxaneHMDB
BendexHMDB
Bis(trineophyltin) oxideHMDB
Bis(tris(2-methyl-2-phenylpropyl)tin) oxideHMDB
Bis(tris(beta,beta-dimethylphenethyl)tin)oxideHMDB
Bis[tris(2-methyl-2-phenylpropyl)tin] oxideHMDB
Bis[tris-(2-methyl-2-phenylpropyl)tin] oxideHMDB
Fenbutatin oxideHMDB
Fenbutatin oxide, bsiHMDB
Fenbutatin-oxideHMDB
Fenbutatin-oxydeHMDB
Fenylbutatin oxideHMDB
Fenylbutylstannium oxideHMDB
HexakisHMDB
Hexakis (2-methyl-2-phenylpropyl)-distannoxaneHMDB
Hexakis(2-methyl-2-phenylpropyl)-distannoxaneHMDB
Hexakis(beta,beta-dimethylphenethyl)-distannoxaneHMDB
HexaneophyldistannoxaneHMDB
NeostanoxHMDB
OsdaranHMDB
| Chemical Formlia |
C60H78OSn2
| Average Molecliar Weight |
1052.68
| Monoisotopic Molecliar Weight |
1054.40966026
| IUPAC Name |
tris(2-methyl-2-phenylpropyl)({[tris(2-methyl-2-phenylpropyl)stannyl]oxy})stannane
| Traditional Name |
vendex
| CAS Registry Number |
13356-08-6
| SMILES |
CC(C)(C[Sn](CC(C)(C)C1=CC=CC=C1)(CC(C)(C)C1=CC=CC=C1)O[Sn](CC(C)(C)C1=CC=CC=C1)(CC(C)(C)C1=CC=CC=C1)CC(C)(C)C1=CC=CC=C1)C1=CC=CC=C1
| InChI Identifier |
InChI=1S/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;
| InChI Key |
HOXINJBQVZWYGZ-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Benzenoids
| Sub Class |
Benzene and substituted derivatives
| Direct Parent |
Phenylpropanes
| Alternative Parents |
Trialkyltins
Organic tin salts
Organic oxygen compounds
Hydrocarbon derivatives
| Substituents |
Phenylpropane
Trialkyltin
Organic metal salt
Organic oxygen compound
Hydrocarbon derivative
Organic tin salt
Organic salt
Organotin compound
Organometallic compound
Organic post-transition metal moeity
Aromatic homomonocyclic compound
| Molecliar Framework |
Aromatic homomonocyclic compounds
| External Descriptors |
organotin acaricide (CHEBI:39294 )
| Ontology |
| Status |
Expected but not Quantified
| Origin |
Endogenous
Food
| Biofunction |
Not Available
| Application |
Nutrient
| Cellliar locations |
Membrane
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point138 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility1.27e-05 mg/mL at 20 °CNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility3.97e-06 mg/mLALOGPS
logP10.63ALOGPS
logP18.44ChemAxon
logS-8.4ALOGPS
pKa (Strongest Basic)-3ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area9.23 Å2ChemAxon
Rotatable Bond Count20ChemAxon
Refractivity265.29 m3·mol-1ChemAxon
Polarizability102.22 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability0ChemAxon
Rlie of FiveYesChemAxon
Ghose FilterYesChemAxon
Vebers RlieYesChemAxon
MDDR-like RlieYesChemAxon
| Spectra |
| Spectra |
Not Available
| Biological Properties |
| Cellliar Locations |
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 |
FDB008461
| KNApSAcK ID |
Not Available
| Chemspider ID |
10468814
| KEGG Compound ID |
C15435
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB31788
| Metagene Link |
HMDB31788
| METLIN ID |
Not Available
| PubChem Compound |
16683004
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Defactinib
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- Blindeman L, Van Labeke MC: Control of the two-spotted spider mite (Tetranychus urticae Koch) in glasshouse roses. Commun Agric Appl Biol Sci. 2003;68(4 Pt A):249-54. [PubMed:15149115 ]
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 17727837