(4-tert-butyl-1-phenylsulfanylcyclohexyl)-trimethylsilane

C19H32SSi — CID 13280416

IUPAC(4-tert-butyl-1-phenylsulfanylcyclohexyl)-trimethylsilane
SMILESCC(C)(C)C1CCC(Sc2ccccc2)([Si](C)(C)C)CC1
InChIInChI=1S/C19H32SSi/c1-18(2,3)16-12-14-19(15-13-16,21(4,5)6)20-17-10-8-7-9-11-17/h7-11,16H,12-15H2,1-6H3
InChIKeyFXVPEVIWOGMEAJ-UHFFFAOYSA-N
MW320.62 g/mol
LogP6.63
Rot. Bonds3

About (4-tert-butyl-1-phenylsulfanylcyclohexyl)-trimethylsilane

(4-tert-butyl-1-phenylsulfanylcyclohexyl)-trimethylsilane (PubChem CID 13280416) has the molecular formula C19H32SSi and a molecular weight of 320.62 g/mol. Its IUPAC name is (4-tert-butyl-1-phenylsulfanylcyclohexyl)-trimethylsilane.

Molecular Properties

Compound Name(4-tert-butyl-1-phenylsulfanylcyclohexyl)-trimethylsilane
PubChem CID13280416
Molecular FormulaC19H32SSi
Molecular Weight320.62 g/mol
Exact Mass320.20
IUPAC Name(4-tert-butyl-1-phenylsulfanylcyclohexyl)-trimethylsilane
SMILESCC(C)(C)C1CCC(Sc2ccccc2)([Si](C)(C)C)CC1
InChIInChI=1S/C19H32SSi/c1-18(2,3)16-12-14-19(15-13-16,21(4,5)6)20-17-10-8-7-9-11-17/h7-11,16H,12-15H2,1-6H3
InChIKeyFXVPEVIWOGMEAJ-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.62
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-1-phenylsulfanylcyclohexyl)-trimethylsilane?
The IUPAC name of (4-tert-butyl-1-phenylsulfanylcyclohexyl)-trimethylsilane (CID 13280416) is (4-tert-butyl-1-phenylsulfanylcyclohexyl)-trimethylsilane.
What is the SMILES notation for (4-tert-butyl-1-phenylsulfanylcyclohexyl)-trimethylsilane?
The canonical SMILES for (4-tert-butyl-1-phenylsulfanylcyclohexyl)-trimethylsilane is CC(C)(C)C1CCC(Sc2ccccc2)([Si](C)(C)C)CC1.
What is the InChIKey of (4-tert-butyl-1-phenylsulfanylcyclohexyl)-trimethylsilane?
The InChIKey is FXVPEVIWOGMEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32SSi/c1-18(2,3)16-12-14-19(15-13-16,21(4,5)6)20-17-10-8-7-9-11-17/h7-11,16H,12-15H2,1-6H3.
What are the key properties of (4-tert-butyl-1-phenylsulfanylcyclohexyl)-trimethylsilane?
(4-tert-butyl-1-phenylsulfanylcyclohexyl)-trimethylsilane has a molecular weight of 320.62 g/mol, XLogP of 6.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1-phenylsulfanylcyclohexyl)-trimethylsilane is sourced from PubChem (CID 13280416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).