[3-(2-oxopropyl)cyclopentyl] acetate

C10H16O3 — CID 71394247

IUPAC[3-(2-oxopropyl)cyclopentyl] acetate
SMILESCC(=O)CC1CCC(OC(C)=O)C1
InChIInChI=1S/C10H16O3/c1-7(11)5-9-3-4-10(6-9)13-8(2)12/h9-10H,3-6H2,1-2H3
InChIKeyFBTXWODVODNNLD-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.70
Rot. Bonds3

About [3-(2-oxopropyl)cyclopentyl] acetate

[3-(2-oxopropyl)cyclopentyl] acetate (PubChem CID 71394247) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is [3-(2-oxopropyl)cyclopentyl] acetate.

Molecular Properties

Compound Name[3-(2-oxopropyl)cyclopentyl] acetate
PubChem CID71394247
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name[3-(2-oxopropyl)cyclopentyl] acetate
SMILESCC(=O)CC1CCC(OC(C)=O)C1
InChIInChI=1S/C10H16O3/c1-7(11)5-9-3-4-10(6-9)13-8(2)12/h9-10H,3-6H2,1-2H3
InChIKeyFBTXWODVODNNLD-UHFFFAOYSA-N
XLogP1.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2-oxopropyl)cyclopentyl] acetate?
The IUPAC name of [3-(2-oxopropyl)cyclopentyl] acetate (CID 71394247) is [3-(2-oxopropyl)cyclopentyl] acetate.
What is the SMILES notation for [3-(2-oxopropyl)cyclopentyl] acetate?
The canonical SMILES for [3-(2-oxopropyl)cyclopentyl] acetate is CC(=O)CC1CCC(OC(C)=O)C1.
What is the InChIKey of [3-(2-oxopropyl)cyclopentyl] acetate?
The InChIKey is FBTXWODVODNNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(11)5-9-3-4-10(6-9)13-8(2)12/h9-10H,3-6H2,1-2H3.
What are the key properties of [3-(2-oxopropyl)cyclopentyl] acetate?
[3-(2-oxopropyl)cyclopentyl] acetate has a molecular weight of 184.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-oxopropyl)cyclopentyl] acetate is sourced from PubChem (CID 71394247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).