2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol

C15H28OS — CID 65139084

IUPAC2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol
SMILESCC1CC(C)CC(C(O)CSC2CCCC2)C1
InChIInChI=1S/C15H28OS/c1-11-7-12(2)9-13(8-11)15(16)10-17-14-5-3-4-6-14/h11-16H,3-10H2,1-2H3
InChIKeyFDOBPWKKZNSYDJ-UHFFFAOYSA-N
MW256.45 g/mol
LogP4.10
Rot. Bonds4

About 2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol

2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol (PubChem CID 65139084) has the molecular formula C15H28OS and a molecular weight of 256.45 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol
PubChem CID65139084
Molecular FormulaC15H28OS
Molecular Weight256.45 g/mol
Exact Mass256.19
IUPAC Name2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol
SMILESCC1CC(C)CC(C(O)CSC2CCCC2)C1
InChIInChI=1S/C15H28OS/c1-11-7-12(2)9-13(8-11)15(16)10-17-14-5-3-4-6-14/h11-16H,3-10H2,1-2H3
InChIKeyFDOBPWKKZNSYDJ-UHFFFAOYSA-N
XLogP4.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol?
The IUPAC name of 2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol (CID 65139084) is 2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol?
The canonical SMILES for 2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol is CC1CC(C)CC(C(O)CSC2CCCC2)C1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol?
The InChIKey is FDOBPWKKZNSYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28OS/c1-11-7-12(2)9-13(8-11)15(16)10-17-14-5-3-4-6-14/h11-16H,3-10H2,1-2H3.
What are the key properties of 2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol?
2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol has a molecular weight of 256.45 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol is sourced from PubChem (CID 65139084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).