ethyl 3-cyclopentylpropanoate

C10H18O2 — CID 519495

IUPACethyl 3-cyclopentylpropanoate
SMILESCCOC(=O)CCC1CCCC1
InChIInChI=1S/C10H18O2/c1-2-12-10(11)8-7-9-5-3-4-6-9/h9H,2-8H2,1H3
InChIKeyXBPSVBXDXASTJT-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.52
Rot. Bonds4

About ethyl 3-cyclopentylpropanoate

ethyl 3-cyclopentylpropanoate (PubChem CID 519495) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is ethyl 3-cyclopentylpropanoate.

Molecular Properties

Compound Nameethyl 3-cyclopentylpropanoate
PubChem CID519495
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Nameethyl 3-cyclopentylpropanoate
SMILESCCOC(=O)CCC1CCCC1
InChIInChI=1S/C10H18O2/c1-2-12-10(11)8-7-9-5-3-4-6-9/h9H,2-8H2,1H3
InChIKeyXBPSVBXDXASTJT-UHFFFAOYSA-N
XLogP2.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 3-cyclopentylpropanoate 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 ethyl 3-cyclopentylpropanoate?
The IUPAC name of ethyl 3-cyclopentylpropanoate (CID 519495) is ethyl 3-cyclopentylpropanoate.
What is the SMILES notation for ethyl 3-cyclopentylpropanoate?
The canonical SMILES for ethyl 3-cyclopentylpropanoate is CCOC(=O)CCC1CCCC1.
What is the InChIKey of ethyl 3-cyclopentylpropanoate?
The InChIKey is XBPSVBXDXASTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-2-12-10(11)8-7-9-5-3-4-6-9/h9H,2-8H2,1H3.
What are the key properties of ethyl 3-cyclopentylpropanoate?
ethyl 3-cyclopentylpropanoate has a molecular weight of 170.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclopentylpropanoate is sourced from PubChem (CID 519495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).