(3-oxocyclopentyl) propanoate

C8H12O3 — CID 91481341

IUPAC(3-oxocyclopentyl) propanoate
SMILESCCC(=O)OC1CCC(=O)C1
InChIInChI=1S/C8H12O3/c1-2-8(10)11-7-4-3-6(9)5-7/h7H,2-5H2,1H3
InChIKeyTWKAPXCMTMEPSY-UHFFFAOYSA-N
MW156.18 g/mol
LogP1.06
Rot. Bonds2

About (3-oxocyclopentyl) propanoate

(3-oxocyclopentyl) propanoate (PubChem CID 91481341) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is (3-oxocyclopentyl) propanoate.

Molecular Properties

Compound Name(3-oxocyclopentyl) propanoate
PubChem CID91481341
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name(3-oxocyclopentyl) propanoate
SMILESCCC(=O)OC1CCC(=O)C1
InChIInChI=1S/C8H12O3/c1-2-8(10)11-7-4-3-6(9)5-7/h7H,2-5H2,1H3
InChIKeyTWKAPXCMTMEPSY-UHFFFAOYSA-N
XLogP1.06
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-oxocyclopentyl) propanoate?
The IUPAC name of (3-oxocyclopentyl) propanoate (CID 91481341) is (3-oxocyclopentyl) propanoate.
What is the SMILES notation for (3-oxocyclopentyl) propanoate?
The canonical SMILES for (3-oxocyclopentyl) propanoate is CCC(=O)OC1CCC(=O)C1.
What is the InChIKey of (3-oxocyclopentyl) propanoate?
The InChIKey is TWKAPXCMTMEPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-2-8(10)11-7-4-3-6(9)5-7/h7H,2-5H2,1H3.
What are the key properties of (3-oxocyclopentyl) propanoate?
(3-oxocyclopentyl) propanoate has a molecular weight of 156.18 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxocyclopentyl) propanoate is sourced from PubChem (CID 91481341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).