4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol

C16H30O3S — CID 57160555

IUPAC4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol
SMILESO=S(=O)(CC(O)CCC1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H30O3S/c17-15(12-11-14-7-3-1-4-8-14)13-20(18,19)16-9-5-2-6-10-16/h14-17H,1-13H2
InChIKeyJYNWZYQTZYMKTJ-UHFFFAOYSA-N
MW302.48 g/mol
LogP3.46
Rot. Bonds6

About 4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol

4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol (PubChem CID 57160555) has the molecular formula C16H30O3S and a molecular weight of 302.48 g/mol. Its IUPAC name is 4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol.

Molecular Properties

Compound Name4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol
PubChem CID57160555
Molecular FormulaC16H30O3S
Molecular Weight302.48 g/mol
Exact Mass302.19
IUPAC Name4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol
SMILESO=S(=O)(CC(O)CCC1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H30O3S/c17-15(12-11-14-7-3-1-4-8-14)13-20(18,19)16-9-5-2-6-10-16/h14-17H,1-13H2
InChIKeyJYNWZYQTZYMKTJ-UHFFFAOYSA-N
XLogP3.46
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol?
The IUPAC name of 4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol (CID 57160555) is 4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol.
What is the SMILES notation for 4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol?
The canonical SMILES for 4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol is O=S(=O)(CC(O)CCC1CCCCC1)C1CCCCC1.
What is the InChIKey of 4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol?
The InChIKey is JYNWZYQTZYMKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O3S/c17-15(12-11-14-7-3-1-4-8-14)13-20(18,19)16-9-5-2-6-10-16/h14-17H,1-13H2.
What are the key properties of 4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol?
4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol has a molecular weight of 302.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-1-cyclohexylsulfonylbutan-2-ol is sourced from PubChem (CID 57160555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).