1-cyclopentyl-2-methoxyethanone

C8H14O2 — CID 13108541

IUPAC1-cyclopentyl-2-methoxyethanone
SMILESCOCC(=O)C1CCCC1
InChIInChI=1S/C8H14O2/c1-10-6-8(9)7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyPYPUDSQLJBSGCQ-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.39
Rot. Bonds3

About 1-cyclopentyl-2-methoxyethanone

1-cyclopentyl-2-methoxyethanone (PubChem CID 13108541) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-cyclopentyl-2-methoxyethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-methoxyethanone
PubChem CID13108541
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Name1-cyclopentyl-2-methoxyethanone
SMILESCOCC(=O)C1CCCC1
InChIInChI=1S/C8H14O2/c1-10-6-8(9)7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyPYPUDSQLJBSGCQ-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-cyclopentyl-2-methoxyethanone 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-cyclopentyl-2-methoxyethanone?
The IUPAC name of 1-cyclopentyl-2-methoxyethanone (CID 13108541) is 1-cyclopentyl-2-methoxyethanone.
What is the SMILES notation for 1-cyclopentyl-2-methoxyethanone?
The canonical SMILES for 1-cyclopentyl-2-methoxyethanone is COCC(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-methoxyethanone?
The InChIKey is PYPUDSQLJBSGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2/c1-10-6-8(9)7-4-2-3-5-7/h7H,2-6H2,1H3.
What are the key properties of 1-cyclopentyl-2-methoxyethanone?
1-cyclopentyl-2-methoxyethanone has a molecular weight of 142.20 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-methoxyethanone is sourced from PubChem (CID 13108541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).