2-cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol

C16H30OS — CID 65139493

IUPAC2-cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol
SMILESCC1CCC(C(O)CSC2CCCCC2)CC1C
InChIInChI=1S/C16H30OS/c1-12-8-9-14(10-13(12)2)16(17)11-18-15-6-4-3-5-7-15/h12-17H,3-11H2,1-2H3
InChIKeyPFZYPAXPCFDSGS-UHFFFAOYSA-N
MW270.48 g/mol
LogP4.49
Rot. Bonds4

About 2-cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol

2-cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol (PubChem CID 65139493) has the molecular formula C16H30OS and a molecular weight of 270.48 g/mol. Its IUPAC name is 2-cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol
PubChem CID65139493
Molecular FormulaC16H30OS
Molecular Weight270.48 g/mol
Exact Mass270.20
IUPAC Name2-cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol
SMILESCC1CCC(C(O)CSC2CCCCC2)CC1C
InChIInChI=1S/C16H30OS/c1-12-8-9-14(10-13(12)2)16(17)11-18-15-6-4-3-5-7-15/h12-17H,3-11H2,1-2H3
InChIKeyPFZYPAXPCFDSGS-UHFFFAOYSA-N
XLogP4.49
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.48
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexylsulfanyl-1-cyclopropylethanol
CID 65139988
2-cyclopentylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanamine
CID 65138768
2-cyclopentylsulfanyl-1-(3,5-dimethylcyclohexyl)ethanol
CID 65139084
2-cyclopentylsulfanyl-1-(oxan-3-yl)ethanol
CID 107136109
1-(3,4-dimethylcyclohexyl)-2-(2-fluorophenyl)sulfanylethanol
CID 66053257
(1S)-1-cyclopropyl-2-methylsulfanylethanol
CID 89329968
1-amino-3-cyclohexylsulfanylpropan-2-ol
CID 60885564
1-cyclohexylsulfanylpropane-2-thiol
CID 57273341
3-(3,4-dimethylcyclohexyl)butan-2-ol
CID 79424372
2-cyclohexylsulfanyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanol
CID 79921016
1-cycloheptyl-2-ethylsulfanylethanol
CID 82931500
2,2-dimethoxyethylsulfanylcyclohexane
CID 66221293

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol?
The IUPAC name of 2-cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol (CID 65139493) is 2-cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol.
What is the SMILES notation for 2-cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol?
The canonical SMILES for 2-cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol is CC1CCC(C(O)CSC2CCCCC2)CC1C.
What is the InChIKey of 2-cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol?
The InChIKey is PFZYPAXPCFDSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OS/c1-12-8-9-14(10-13(12)2)16(17)11-18-15-6-4-3-5-7-15/h12-17H,3-11H2,1-2H3.
What are the key properties of 2-cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol?
2-cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol has a molecular weight of 270.48 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylsulfanyl-1-(3,4-dimethylcyclohexyl)ethanol is sourced from PubChem (CID 65139493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).