3-ethoxycyclopentan-1-one

C7H12O2 — CID 15050470

IUPAC3-ethoxycyclopentan-1-one
SMILESCCOC1CCC(=O)C1
InChIInChI=1S/C7H12O2/c1-2-9-7-4-3-6(8)5-7/h7H,2-5H2,1H3
InChIKeyUAFTUQCCPRMUPP-UHFFFAOYSA-N
MW128.17 g/mol
LogP1.14
Rot. Bonds2

About 3-ethoxycyclopentan-1-one

3-ethoxycyclopentan-1-one (PubChem CID 15050470) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is 3-ethoxycyclopentan-1-one.

Molecular Properties

Compound Name3-ethoxycyclopentan-1-one
PubChem CID15050470
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Name3-ethoxycyclopentan-1-one
SMILESCCOC1CCC(=O)C1
InChIInChI=1S/C7H12O2/c1-2-9-7-4-3-6(8)5-7/h7H,2-5H2,1H3
InChIKeyUAFTUQCCPRMUPP-UHFFFAOYSA-N
XLogP1.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-ethoxycyclopentan-1-one 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-ethoxycyclopentan-1-one?
The IUPAC name of 3-ethoxycyclopentan-1-one (CID 15050470) is 3-ethoxycyclopentan-1-one.
What is the SMILES notation for 3-ethoxycyclopentan-1-one?
The canonical SMILES for 3-ethoxycyclopentan-1-one is CCOC1CCC(=O)C1.
What is the InChIKey of 3-ethoxycyclopentan-1-one?
The InChIKey is UAFTUQCCPRMUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2/c1-2-9-7-4-3-6(8)5-7/h7H,2-5H2,1H3.
What are the key properties of 3-ethoxycyclopentan-1-one?
3-ethoxycyclopentan-1-one has a molecular weight of 128.17 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxycyclopentan-1-one is sourced from PubChem (CID 15050470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).