2-(cyclohexen-1-yl)-1-(3-methylsulfonylcyclohexyl)ethanol

C15H26O3S — CID 116660262

IUPAC2-(cyclohexen-1-yl)-1-(3-methylsulfonylcyclohexyl)ethanol
SMILESCS(=O)(=O)C1CCCC(C(O)CC2=CCCCC2)C1
InChIInChI=1S/C15H26O3S/c1-19(17,18)14-9-5-8-13(11-14)15(16)10-12-6-3-2-4-7-12/h6,13-16H,2-5,7-11H2,1H3
InChIKeyWDKOHHABXXNPNL-UHFFFAOYSA-N
MW286.44 g/mol
LogP2.84
Rot. Bonds4

About 2-(cyclohexen-1-yl)-1-(3-methylsulfonylcyclohexyl)ethanol

2-(cyclohexen-1-yl)-1-(3-methylsulfonylcyclohexyl)ethanol (PubChem CID 116660262) has the molecular formula C15H26O3S and a molecular weight of 286.44 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(3-methylsulfonylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(3-methylsulfonylcyclohexyl)ethanol
PubChem CID116660262
Molecular FormulaC15H26O3S
Molecular Weight286.44 g/mol
Exact Mass286.16
IUPAC Name2-(cyclohexen-1-yl)-1-(3-methylsulfonylcyclohexyl)ethanol
SMILESCS(=O)(=O)C1CCCC(C(O)CC2=CCCCC2)C1
InChIInChI=1S/C15H26O3S/c1-19(17,18)14-9-5-8-13(11-14)15(16)10-12-6-3-2-4-7-12/h6,13-16H,2-5,7-11H2,1H3
InChIKeyWDKOHHABXXNPNL-UHFFFAOYSA-N
XLogP2.84
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(cyclohexen-1-yl)-1-(3-methylsulfonylcyclohexyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(3-methylsulfonylcyclohexyl)ethanol?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(3-methylsulfonylcyclohexyl)ethanol (CID 116660262) is 2-(cyclohexen-1-yl)-1-(3-methylsulfonylcyclohexyl)ethanol.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(3-methylsulfonylcyclohexyl)ethanol?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(3-methylsulfonylcyclohexyl)ethanol is CS(=O)(=O)C1CCCC(C(O)CC2=CCCCC2)C1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(3-methylsulfonylcyclohexyl)ethanol?
The InChIKey is WDKOHHABXXNPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O3S/c1-19(17,18)14-9-5-8-13(11-14)15(16)10-12-6-3-2-4-7-12/h6,13-16H,2-5,7-11H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(3-methylsulfonylcyclohexyl)ethanol?
2-(cyclohexen-1-yl)-1-(3-methylsulfonylcyclohexyl)ethanol has a molecular weight of 286.44 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(3-methylsulfonylcyclohexyl)ethanol is sourced from PubChem (CID 116660262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).