4-pentylsulfonylcyclohexan-1-ol

C11H22O3S — CID 59281732

IUPAC4-pentylsulfonylcyclohexan-1-ol
SMILESCCCCCS(=O)(=O)C1CCC(O)CC1
InChIInChI=1S/C11H22O3S/c1-2-3-4-9-15(13,14)11-7-5-10(12)6-8-11/h10-12H,2-9H2,1H3
InChIKeyVAEFNTCJHJETEF-UHFFFAOYSA-N
MW234.36 g/mol
LogP1.89
Rot. Bonds5

About 4-pentylsulfonylcyclohexan-1-ol

4-pentylsulfonylcyclohexan-1-ol (PubChem CID 59281732) has the molecular formula C11H22O3S and a molecular weight of 234.36 g/mol. Its IUPAC name is 4-pentylsulfonylcyclohexan-1-ol.

Molecular Properties

Compound Name4-pentylsulfonylcyclohexan-1-ol
PubChem CID59281732
Molecular FormulaC11H22O3S
Molecular Weight234.36 g/mol
Exact Mass234.13
IUPAC Name4-pentylsulfonylcyclohexan-1-ol
SMILESCCCCCS(=O)(=O)C1CCC(O)CC1
InChIInChI=1S/C11H22O3S/c1-2-3-4-9-15(13,14)11-7-5-10(12)6-8-11/h10-12H,2-9H2,1H3
InChIKeyVAEFNTCJHJETEF-UHFFFAOYSA-N
XLogP1.89
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-pentylsulfonylcyclohexan-1-ol 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 4-pentylsulfonylcyclohexan-1-ol?
The IUPAC name of 4-pentylsulfonylcyclohexan-1-ol (CID 59281732) is 4-pentylsulfonylcyclohexan-1-ol.
What is the SMILES notation for 4-pentylsulfonylcyclohexan-1-ol?
The canonical SMILES for 4-pentylsulfonylcyclohexan-1-ol is CCCCCS(=O)(=O)C1CCC(O)CC1.
What is the InChIKey of 4-pentylsulfonylcyclohexan-1-ol?
The InChIKey is VAEFNTCJHJETEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3S/c1-2-3-4-9-15(13,14)11-7-5-10(12)6-8-11/h10-12H,2-9H2,1H3.
What are the key properties of 4-pentylsulfonylcyclohexan-1-ol?
4-pentylsulfonylcyclohexan-1-ol has a molecular weight of 234.36 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentylsulfonylcyclohexan-1-ol is sourced from PubChem (CID 59281732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).