2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethyl acetate

C14H22O3 — CID 16753860

IUPAC2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethyl acetate
SMILESCC/C=C\CC1C(=O)CCC1CCOC(C)=O
InChIInChI=1S/C14H22O3/c1-3-4-5-6-13-12(7-8-14(13)16)9-10-17-11(2)15/h4-5,12-13H,3,6-10H2,1-2H3/b5-4-
InChIKeyFAZUQAVCYINYNV-PLNGDYQASA-N
MW238.33 g/mol
LogP2.89
Rot. Bonds6

About 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethyl acetate

2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethyl acetate (PubChem CID 16753860) has the molecular formula C14H22O3 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethyl acetate.

Molecular Properties

Compound Name2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethyl acetate
PubChem CID16753860
Molecular FormulaC14H22O3
Molecular Weight238.33 g/mol
Exact Mass238.16
IUPAC Name2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethyl acetate
SMILESCC/C=C\CC1C(=O)CCC1CCOC(C)=O
InChIInChI=1S/C14H22O3/c1-3-4-5-6-13-12(7-8-14(13)16)9-10-17-11(2)15/h4-5,12-13H,3,6-10H2,1-2H3/b5-4-
InChIKeyFAZUQAVCYINYNV-PLNGDYQASA-N
XLogP2.89
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethyl acetate?
The IUPAC name of 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethyl acetate (CID 16753860) is 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethyl acetate.
What is the SMILES notation for 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethyl acetate?
The canonical SMILES for 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethyl acetate is CC/C=C\CC1C(=O)CCC1CCOC(C)=O.
What is the InChIKey of 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethyl acetate?
The InChIKey is FAZUQAVCYINYNV-PLNGDYQASA-N. The full InChI is InChI=1S/C14H22O3/c1-3-4-5-6-13-12(7-8-14(13)16)9-10-17-11(2)15/h4-5,12-13H,3,6-10H2,1-2H3/b5-4-.
What are the key properties of 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethyl acetate?
2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethyl acetate has a molecular weight of 238.33 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]ethyl acetate is sourced from PubChem (CID 16753860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).