2,2-bis(phenylsulfanyl)ethyl-dimethyl-(5-methyl-1-phenylhex-5-en-3-yl)oxysilane

C29H36OS2Si — CID 10529185

IUPAC2,2-bis(phenylsulfanyl)ethyl-dimethyl-(5-methyl-1-phenylhex-5-en-3-yl)oxysilane
SMILESC=C(C)CC(CCc1ccccc1)O[Si](C)(C)CC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C29H36OS2Si/c1-24(2)22-26(21-20-25-14-8-5-9-15-25)30-33(3,4)23-29(31-27-16-10-6-11-17-27)32-28-18-12-7-13-19-28/h5-19,26,29H,1,20-23H2,2-4H3
InChIKeyFYVYMYUMBZIZEG-UHFFFAOYSA-N
MW492.83 g/mol
LogP9.09
Rot. Bonds13

About 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(5-methyl-1-phenylhex-5-en-3-yl)oxysilane

2,2-bis(phenylsulfanyl)ethyl-dimethyl-(5-methyl-1-phenylhex-5-en-3-yl)oxysilane (PubChem CID 10529185) has the molecular formula C29H36OS2Si and a molecular weight of 492.83 g/mol. Its IUPAC name is 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(5-methyl-1-phenylhex-5-en-3-yl)oxysilane.

Molecular Properties

Compound Name2,2-bis(phenylsulfanyl)ethyl-dimethyl-(5-methyl-1-phenylhex-5-en-3-yl)oxysilane
PubChem CID10529185
Molecular FormulaC29H36OS2Si
Molecular Weight492.83 g/mol
Exact Mass492.20
IUPAC Name2,2-bis(phenylsulfanyl)ethyl-dimethyl-(5-methyl-1-phenylhex-5-en-3-yl)oxysilane
SMILESC=C(C)CC(CCc1ccccc1)O[Si](C)(C)CC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C29H36OS2Si/c1-24(2)22-26(21-20-25-14-8-5-9-15-25)30-33(3,4)23-29(31-27-16-10-6-11-17-27)32-28-18-12-7-13-19-28/h5-19,26,29H,1,20-23H2,2-4H3
InChIKeyFYVYMYUMBZIZEG-UHFFFAOYSA-N
XLogP9.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.83
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(5-methyl-1-phenylhex-5-en-3-yl)oxysilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1R,2R)-2-[2,2-bis(phenylsulfanyl)ethyl]-1-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane
CID 394587
2,2-Bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane
CID 10719457
tert-butyl-[(Z,3R,4S)-2,4-dimethyl-6-phenyl-6-phenylsulfanylhex-5-en-3-yl]oxy-dimethylsilane
CID 11026321
3-[3,3-Bis(phenylsulfanyl)propoxy]propylbenzene
CID 11452225
Trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane
CID 14961450
1-Phenyl-1,1-bis(phenylsulfanyl)nonan-2-ol
CID 15270964
(2-Benzyl-4-methoxy-1-phenylsulfanylbutyl)sulfanylbenzene
CID 86034056
[3-Benzyl-4,4-bis(phenylsulfanyl)butoxy]-triphenylsilane
CID 86034066
[3-(2-Benzylpent-4-enoxy)-1-phenylsulfanylpropyl]sulfanylbenzene
CID 101053808
tert-butyl-diphenyl-[(E,1R)-1-phenyl-5-phenylsulfanylhex-3-enoxy]silane
CID 101917497
1,1-Bis(phenylsulfanyl)undecan-3-yloxy-dimethyl-propylsilane
CID 134877975
[(1R,2R)-2-benzylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-tert-butyl-dimethylsilane
CID 134929314

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(5-methyl-1-phenylhex-5-en-3-yl)oxysilane?
The IUPAC name of 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(5-methyl-1-phenylhex-5-en-3-yl)oxysilane (CID 10529185) is 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(5-methyl-1-phenylhex-5-en-3-yl)oxysilane.
What is the SMILES notation for 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(5-methyl-1-phenylhex-5-en-3-yl)oxysilane?
The canonical SMILES for 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(5-methyl-1-phenylhex-5-en-3-yl)oxysilane is C=C(C)CC(CCc1ccccc1)O[Si](C)(C)CC(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(5-methyl-1-phenylhex-5-en-3-yl)oxysilane?
The InChIKey is FYVYMYUMBZIZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36OS2Si/c1-24(2)22-26(21-20-25-14-8-5-9-15-25)30-33(3,4)23-29(31-27-16-10-6-11-17-27)32-28-18-12-7-13-19-28/h5-19,26,29H,1,20-23H2,2-4H3.
What are the key properties of 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(5-methyl-1-phenylhex-5-en-3-yl)oxysilane?
2,2-bis(phenylsulfanyl)ethyl-dimethyl-(5-methyl-1-phenylhex-5-en-3-yl)oxysilane has a molecular weight of 492.83 g/mol, XLogP of 9.09, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(5-methyl-1-phenylhex-5-en-3-yl)oxysilane is sourced from PubChem (CID 10529185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).