(3-methylcyclopentyl)methyl methanesulfonate

C8H16O3S — CID 18922026

IUPAC(3-methylcyclopentyl)methyl methanesulfonate
SMILESCC1CCC(COS(C)(=O)=O)C1
InChIInChI=1S/C8H16O3S/c1-7-3-4-8(5-7)6-11-12(2,9)10/h7-8H,3-6H2,1-2H3
InChIKeyPKCCPNICSCZFAJ-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.40
Rot. Bonds3

About (3-methylcyclopentyl)methyl methanesulfonate

(3-methylcyclopentyl)methyl methanesulfonate (PubChem CID 18922026) has the molecular formula C8H16O3S and a molecular weight of 192.28 g/mol. Its IUPAC name is (3-methylcyclopentyl)methyl methanesulfonate.

Molecular Properties

Compound Name(3-methylcyclopentyl)methyl methanesulfonate
PubChem CID18922026
Molecular FormulaC8H16O3S
Molecular Weight192.28 g/mol
Exact Mass192.08
IUPAC Name(3-methylcyclopentyl)methyl methanesulfonate
SMILESCC1CCC(COS(C)(=O)=O)C1
InChIInChI=1S/C8H16O3S/c1-7-3-4-8(5-7)6-11-12(2,9)10/h7-8H,3-6H2,1-2H3
InChIKeyPKCCPNICSCZFAJ-UHFFFAOYSA-N
XLogP1.40
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze (3-methylcyclopentyl)methyl methanesulfonate 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 (3-methylcyclopentyl)methyl methanesulfonate?
The IUPAC name of (3-methylcyclopentyl)methyl methanesulfonate (CID 18922026) is (3-methylcyclopentyl)methyl methanesulfonate.
What is the SMILES notation for (3-methylcyclopentyl)methyl methanesulfonate?
The canonical SMILES for (3-methylcyclopentyl)methyl methanesulfonate is CC1CCC(COS(C)(=O)=O)C1.
What is the InChIKey of (3-methylcyclopentyl)methyl methanesulfonate?
The InChIKey is PKCCPNICSCZFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3S/c1-7-3-4-8(5-7)6-11-12(2,9)10/h7-8H,3-6H2,1-2H3.
What are the key properties of (3-methylcyclopentyl)methyl methanesulfonate?
(3-methylcyclopentyl)methyl methanesulfonate has a molecular weight of 192.28 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylcyclopentyl)methyl methanesulfonate is sourced from PubChem (CID 18922026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).