4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol

C16H30OS — CID 57068108

IUPAC4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol
SMILESOC(CCC1CCCCC1)CSC1CCCCC1
InChIInChI=1S/C16H30OS/c17-15(12-11-14-7-3-1-4-8-14)13-18-16-9-5-2-6-10-16/h14-17H,1-13H2
InChIKeyWQJCRBVDIJTVPZ-UHFFFAOYSA-N
MW270.48 g/mol
LogP4.77
Rot. Bonds6

About 4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol

4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol (PubChem CID 57068108) has the molecular formula C16H30OS and a molecular weight of 270.48 g/mol. Its IUPAC name is 4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol.

Molecular Properties

Compound Name4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol
PubChem CID57068108
Molecular FormulaC16H30OS
Molecular Weight270.48 g/mol
Exact Mass270.20
IUPAC Name4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol
SMILESOC(CCC1CCCCC1)CSC1CCCCC1
InChIInChI=1S/C16H30OS/c17-15(12-11-14-7-3-1-4-8-14)13-18-16-9-5-2-6-10-16/h14-17H,1-13H2
InChIKeyWQJCRBVDIJTVPZ-UHFFFAOYSA-N
XLogP4.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-cyclohexylsulfanyl-4-thiophen-3-ylbutan-2-ol
CID 65139939
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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol?
The IUPAC name of 4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol (CID 57068108) is 4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol.
What is the SMILES notation for 4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol?
The canonical SMILES for 4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol is OC(CCC1CCCCC1)CSC1CCCCC1.
What is the InChIKey of 4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol?
The InChIKey is WQJCRBVDIJTVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30OS/c17-15(12-11-14-7-3-1-4-8-14)13-18-16-9-5-2-6-10-16/h14-17H,1-13H2.
What are the key properties of 4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol?
4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol has a molecular weight of 270.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-cyclohexylsulfanylbutan-2-ol is sourced from PubChem (CID 57068108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).