2-cyclopentylethanol;methanesulfonic acid

C8H18O4S — CID 71402082

IUPAC2-cyclopentylethanol;methanesulfonic acid
SMILESCS(=O)(=O)O.OCCC1CCCC1
InChIInChI=1S/C7H14O.CH4O3S/c8-6-5-7-3-1-2-4-7;1-5(2,3)4/h7-8H,1-6H2;1H3,(H,2,3,4)
InChIKeyJAFCETIGWPSVOW-UHFFFAOYSA-N
MW210.29 g/mol
LogP1.06
Rot. Bonds2

About 2-cyclopentylethanol;methanesulfonic acid

2-cyclopentylethanol;methanesulfonic acid (PubChem CID 71402082) has the molecular formula C8H18O4S and a molecular weight of 210.29 g/mol. Its IUPAC name is 2-cyclopentylethanol;methanesulfonic acid.

Molecular Properties

Compound Name2-cyclopentylethanol;methanesulfonic acid
PubChem CID71402082
Molecular FormulaC8H18O4S
Molecular Weight210.29 g/mol
Exact Mass210.09
IUPAC Name2-cyclopentylethanol;methanesulfonic acid
SMILESCS(=O)(=O)O.OCCC1CCCC1
InChIInChI=1S/C7H14O.CH4O3S/c8-6-5-7-3-1-2-4-7;1-5(2,3)4/h7-8H,1-6H2;1H3,(H,2,3,4)
InChIKeyJAFCETIGWPSVOW-UHFFFAOYSA-N
XLogP1.06
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 2-cyclopentylethanol;methanesulfonic acid 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-cyclopentylethanol;methanesulfonic acid?
The IUPAC name of 2-cyclopentylethanol;methanesulfonic acid (CID 71402082) is 2-cyclopentylethanol;methanesulfonic acid.
What is the SMILES notation for 2-cyclopentylethanol;methanesulfonic acid?
The canonical SMILES for 2-cyclopentylethanol;methanesulfonic acid is CS(=O)(=O)O.OCCC1CCCC1.
What is the InChIKey of 2-cyclopentylethanol;methanesulfonic acid?
The InChIKey is JAFCETIGWPSVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.CH4O3S/c8-6-5-7-3-1-2-4-7;1-5(2,3)4/h7-8H,1-6H2;1H3,(H,2,3,4).
What are the key properties of 2-cyclopentylethanol;methanesulfonic acid?
2-cyclopentylethanol;methanesulfonic acid has a molecular weight of 210.29 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylethanol;methanesulfonic acid is sourced from PubChem (CID 71402082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).