1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol

C13H26O3S — CID 65392483

IUPAC1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol
SMILESCCC1CCC(C(O)CCCS(C)(=O)=O)CC1
InChIInChI=1S/C13H26O3S/c1-3-11-6-8-12(9-7-11)13(14)5-4-10-17(2,15)16/h11-14H,3-10H2,1-2H3
InChIKeyAQQURUUESXJHMF-UHFFFAOYSA-N
MW262.41 g/mol
LogP2.39
Rot. Bonds6

About 1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol

1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol (PubChem CID 65392483) has the molecular formula C13H26O3S and a molecular weight of 262.41 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol
PubChem CID65392483
Molecular FormulaC13H26O3S
Molecular Weight262.41 g/mol
Exact Mass262.16
IUPAC Name1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol
SMILESCCC1CCC(C(O)CCCS(C)(=O)=O)CC1
InChIInChI=1S/C13H26O3S/c1-3-11-6-8-12(9-7-11)13(14)5-4-10-17(2,15)16/h11-14H,3-10H2,1-2H3
InChIKeyAQQURUUESXJHMF-UHFFFAOYSA-N
XLogP2.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-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 1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol?
The IUPAC name of 1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol (CID 65392483) is 1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol?
The canonical SMILES for 1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol is CCC1CCC(C(O)CCCS(C)(=O)=O)CC1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol?
The InChIKey is AQQURUUESXJHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26O3S/c1-3-11-6-8-12(9-7-11)13(14)5-4-10-17(2,15)16/h11-14H,3-10H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol?
1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol has a molecular weight of 262.41 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-4-methylsulfonylbutan-1-ol is sourced from PubChem (CID 65392483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).