tert-butyl-[4-(2-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane

C31H40OSSi — CID 91510143

IUPACtert-butyl-[4-(2-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCc1ccccc1SC1CCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H40OSSi/c1-31(2,3)34(28-20-6-4-7-21-28,29-22-8-5-9-23-29)32-25-15-14-17-26-16-10-13-24-30(26)33-27-18-11-12-19-27/h4-10,13,16,20-24,27H,11-12,14-15,17-19,25H2,1-3H3
InChIKeyCDEGSQOENBCHDK-UHFFFAOYSA-N
MW488.81 g/mol
LogP7.62
Rot. Bonds10

About tert-butyl-[4-(2-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane

tert-butyl-[4-(2-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane (PubChem CID 91510143) has the molecular formula C31H40OSSi and a molecular weight of 488.81 g/mol. Its IUPAC name is tert-butyl-[4-(2-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[4-(2-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane
PubChem CID91510143
Molecular FormulaC31H40OSSi
Molecular Weight488.81 g/mol
Exact Mass488.26
IUPAC Nametert-butyl-[4-(2-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane
SMILESCC(C)(C)[Si](OCCCCc1ccccc1SC1CCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C31H40OSSi/c1-31(2,3)34(28-20-6-4-7-21-28,29-22-8-5-9-23-29)32-25-15-14-17-26-16-10-13-24-30(26)33-27-18-11-12-19-27/h4-10,13,16,20-24,27H,11-12,14-15,17-19,25H2,1-3H3
InChIKeyCDEGSQOENBCHDK-UHFFFAOYSA-N
XLogP7.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.81
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2,2-Bis(phenylsulfanyl)ethyl-dimethyl-(1-phenylhex-5-en-3-yloxy)silane
CID 10719457
Trimethyl-[2-[phenyl(phenylsulfanyl)methyl]hexoxy]silane
CID 14961450
(2-Benzyl-4-methoxy-1-phenylsulfanylbutyl)sulfanylbenzene
CID 86034056
[3-Benzyl-4,4-bis(phenylsulfanyl)butoxy]-triphenylsilane
CID 86034066
2-[(1R,4aS,8aR)-8-methyl-1-phenylsulfanyl-2,5,6,8a-tetrahydro-1H-naphthalen-4a-yl]ethoxy-tert-butyl-diphenylsilane
CID 134837527
Tert-butyl-dimethyl-(4-phenyl-4-phenylsulfanylbutoxy)silane
CID 135030321
trimethyl-[(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]hexoxy]silane
CID 135050526
tert-butyl-[3-[(2S,3R,5S)-2,5-dimethyl-3-phenylsulfanyloxolan-2-yl]propoxy]-diphenylsilane
CID 100947757
CID 68518661
CID 68518661
Tert-butyl(4-[3-(cyclopentylthio)phenyl]butoxy}diphenylsilane
CID 69384064
Tert-butyl{4-[3-(cyclopentylsulfinyl)phenyl]butoxy}diphenylsilane
CID 69387393
Butyl-[4-(3-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane
CID 69534869

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[4-(2-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[4-(2-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane (CID 91510143) is tert-butyl-[4-(2-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[4-(2-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[4-(2-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane is CC(C)(C)[Si](OCCCCc1ccccc1SC1CCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of tert-butyl-[4-(2-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane?
The InChIKey is CDEGSQOENBCHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40OSSi/c1-31(2,3)34(28-20-6-4-7-21-28,29-22-8-5-9-23-29)32-25-15-14-17-26-16-10-13-24-30(26)33-27-18-11-12-19-27/h4-10,13,16,20-24,27H,11-12,14-15,17-19,25H2,1-3H3.
What are the key properties of tert-butyl-[4-(2-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane?
tert-butyl-[4-(2-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane has a molecular weight of 488.81 g/mol, XLogP of 7.62, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[4-(2-cyclopentylsulfanylphenyl)butoxy]-diphenylsilane is sourced from PubChem (CID 91510143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).