2,2-bis(phenylsulfanyl)ethyl-dimethyl-(3-methyl-1-phenylbut-3-enoxy)silane

C27H32OS2Si — CID 10624021

IUPAC2,2-bis(phenylsulfanyl)ethyl-dimethyl-(3-methyl-1-phenylbut-3-enoxy)silane
SMILESC=C(C)CC(O[Si](C)(C)CC(Sc1ccccc1)Sc1ccccc1)c1ccccc1
InChIInChI=1S/C27H32OS2Si/c1-22(2)20-26(23-14-8-5-9-15-23)28-31(3,4)21-27(29-24-16-10-6-11-17-24)30-25-18-12-7-13-19-25/h5-19,26-27H,1,20-21H2,2-4H3
InChIKeyYZHUGCWOFQAWRG-UHFFFAOYSA-N
MW464.77 g/mol
LogP8.83
Rot. Bonds11

About 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(3-methyl-1-phenylbut-3-enoxy)silane

2,2-bis(phenylsulfanyl)ethyl-dimethyl-(3-methyl-1-phenylbut-3-enoxy)silane (PubChem CID 10624021) has the molecular formula C27H32OS2Si and a molecular weight of 464.77 g/mol. Its IUPAC name is 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(3-methyl-1-phenylbut-3-enoxy)silane.

Molecular Properties

Compound Name2,2-bis(phenylsulfanyl)ethyl-dimethyl-(3-methyl-1-phenylbut-3-enoxy)silane
PubChem CID10624021
Molecular FormulaC27H32OS2Si
Molecular Weight464.77 g/mol
Exact Mass464.17
IUPAC Name2,2-bis(phenylsulfanyl)ethyl-dimethyl-(3-methyl-1-phenylbut-3-enoxy)silane
SMILESC=C(C)CC(O[Si](C)(C)CC(Sc1ccccc1)Sc1ccccc1)c1ccccc1
InChIInChI=1S/C27H32OS2Si/c1-22(2)20-26(23-14-8-5-9-15-23)28-31(3,4)21-27(29-24-16-10-6-11-17-24)30-25-18-12-7-13-19-25/h5-19,26-27H,1,20-21H2,2-4H3
InChIKeyYZHUGCWOFQAWRG-UHFFFAOYSA-N
XLogP8.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.77
LogP ≤ 58.83
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-(3-methyl-1-phenylbut-3-enoxy)silane 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

[2,2-Difluoro-2-(4-methylphenyl)sulfanyl-1-phenylethoxy]-trimethylsilane
CID 132604593
(3R)-1,1-bis[(4-methylphenyl)sulfanyl]-3-phenyl-3-trimethylsilyloxypropan-2-one
CID 14813334
(1S,2S)-1,2-diphenyl-2-phenylsulfanylethanol
CID 10935675
(2,2-Difluoro-1-phenyl-2-phenylsulfanylethoxy)-trimethylsilane
CID 102468059
1-Methyl-4-(2-phenyl-2-phenylmethoxyethyl)sulfanylbenzene
CID 10616738
2,2-Bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane
CID 10719457
[1,3-Dithian-2-yl(phenyl)methoxy]-trimethylsilane
CID 11022916
1-Phenyl-3,3-bis(phenylsulfanyl)propan-1-ol
CID 11291133
Tert-butyl-dimethyl-(2-methylsulfanyl-1-phenylethoxy)silane
CID 12061430
(1R,2R)-1,2-diphenyl-2-phenylsulfanylethanol
CID 12086556
1,2-Diphenyl-2-phenylsulfanylethanol
CID 12406260
Trimethyl-(1-phenyl-1-phenylsulfanylbut-3-enoxy)silane
CID 12641117

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(3-methyl-1-phenylbut-3-enoxy)silane?
The IUPAC name of 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(3-methyl-1-phenylbut-3-enoxy)silane (CID 10624021) is 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(3-methyl-1-phenylbut-3-enoxy)silane.
What is the SMILES notation for 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(3-methyl-1-phenylbut-3-enoxy)silane?
The canonical SMILES for 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(3-methyl-1-phenylbut-3-enoxy)silane is C=C(C)CC(O[Si](C)(C)CC(Sc1ccccc1)Sc1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(3-methyl-1-phenylbut-3-enoxy)silane?
The InChIKey is YZHUGCWOFQAWRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32OS2Si/c1-22(2)20-26(23-14-8-5-9-15-23)28-31(3,4)21-27(29-24-16-10-6-11-17-24)30-25-18-12-7-13-19-25/h5-19,26-27H,1,20-21H2,2-4H3.
What are the key properties of 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(3-methyl-1-phenylbut-3-enoxy)silane?
2,2-bis(phenylsulfanyl)ethyl-dimethyl-(3-methyl-1-phenylbut-3-enoxy)silane has a molecular weight of 464.77 g/mol, XLogP of 8.83, 11 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-(3-methyl-1-phenylbut-3-enoxy)silane is sourced from PubChem (CID 10624021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).