2,2-bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane

C28H34OS2Si — CID 10719457

IUPAC2,2-bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane
SMILESC=CCC(CCc1ccccc1)O[Si](C)(C)CC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C28H34OS2Si/c1-4-14-25(22-21-24-15-8-5-9-16-24)29-32(2,3)23-28(30-26-17-10-6-11-18-26)31-27-19-12-7-13-20-27/h4-13,15-20,25,28H,1,14,21-23H2,2-3H3
InChIKeyNXSLEZPJSHAICD-UHFFFAOYSA-N
MW478.80 g/mol
LogP8.70
Rot. Bonds13

About 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane

2,2-bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane (PubChem CID 10719457) has the molecular formula C28H34OS2Si and a molecular weight of 478.80 g/mol. Its IUPAC name is 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane.

Molecular Properties

Compound Name2,2-bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane
PubChem CID10719457
Molecular FormulaC28H34OS2Si
Molecular Weight478.80 g/mol
Exact Mass478.18
IUPAC Name2,2-bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane
SMILESC=CCC(CCc1ccccc1)O[Si](C)(C)CC(Sc1ccccc1)Sc1ccccc1
InChIInChI=1S/C28H34OS2Si/c1-4-14-25(22-21-24-15-8-5-9-16-24)29-32(2,3)23-28(30-26-17-10-6-11-18-26)31-27-19-12-7-13-20-27/h4-13,15-20,25,28H,1,14,21-23H2,2-3H3
InChIKeyNXSLEZPJSHAICD-UHFFFAOYSA-N
XLogP8.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.80
LogP ≤ 58.70
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'}

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Related Compounds

[(1R,2R)-2-[2,2-bis(phenylsulfanyl)ethyl]-1-prop-1-en-2-ylcyclohexyl]oxy-trimethylsilane
CID 394587
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
[(1R,2S)-2-benzylsulfanyl-2-(4-methylphenyl)-1-phenylethoxy]-tert-butyl-dimethylsilane
CID 134930055

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane?
The IUPAC name of 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane (CID 10719457) is 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane.
What is the SMILES notation for 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane?
The canonical SMILES for 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane is C=CCC(CCc1ccccc1)O[Si](C)(C)CC(Sc1ccccc1)Sc1ccccc1.
What is the InChIKey of 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane?
The InChIKey is NXSLEZPJSHAICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34OS2Si/c1-4-14-25(22-21-24-15-8-5-9-16-24)29-32(2,3)23-28(30-26-17-10-6-11-18-26)31-27-19-12-7-13-20-27/h4-13,15-20,25,28H,1,14,21-23H2,2-3H3.
What are the key properties of 2,2-bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane?
2,2-bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane has a molecular weight of 478.80 g/mol, XLogP of 8.70, 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-(1-phenylhex-5-en-3-yloxy)silane is sourced from PubChem (CID 10719457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).