1-(5-oxocyclopenten-1-yl)pent-4-enyl acetate

C12H16O3 — CID 86225314

IUPAC1-(5-oxocyclopenten-1-yl)pent-4-enyl acetate
SMILESC=CCCC(OC(C)=O)C1=CCCC1=O
InChIInChI=1S/C12H16O3/c1-3-4-8-12(15-9(2)13)10-6-5-7-11(10)14/h3,6,12H,1,4-5,7-8H2,2H3
InChIKeyDODBXAWAXJAUPB-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.17
Rot. Bonds5

About 1-(5-oxocyclopenten-1-yl)pent-4-enyl acetate

1-(5-oxocyclopenten-1-yl)pent-4-enyl acetate (PubChem CID 86225314) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(5-oxocyclopenten-1-yl)pent-4-enyl acetate.

Molecular Properties

Compound Name1-(5-oxocyclopenten-1-yl)pent-4-enyl acetate
PubChem CID86225314
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-(5-oxocyclopenten-1-yl)pent-4-enyl acetate
SMILESC=CCCC(OC(C)=O)C1=CCCC1=O
InChIInChI=1S/C12H16O3/c1-3-4-8-12(15-9(2)13)10-6-5-7-11(10)14/h3,6,12H,1,4-5,7-8H2,2H3
InChIKeyDODBXAWAXJAUPB-UHFFFAOYSA-N
XLogP2.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-hydroxyhex-5-enyl)cyclopent-2-en-1-one
CID 24746182
1-acetyloxyhex-5-enyl acetate
CID 15000176
[(2E)-3-methylocta-2,7-dien-4-yl] acetate
CID 11789853
ethyl (E)-6-hydroxy-6-(5-oxocyclopenten-1-yl)hex-2-enoate
CID 101388018
3-methoxyhept-6-en-2-one
CID 45085639
nonacosa-1,28-dien-15-yl acetate
CID 101064980
2-(5-oxocyclopenten-1-yl)ethyl acetate
CID 13075020
N-acetyl-N-(5-oxocyclopenten-1-yl)acetamide
CID 23264533
[(5S)-9-phenylnon-1-en-6-yn-5-yl] acetate
CID 44552479
[(1R)-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl] acetate
CID 139646465
[(1R)-1-(4-methoxyphenyl)but-3-enyl] acetate
CID 10955082
2-[(1S)-1-hydroxyprop-2-enyl]cyclohex-2-en-1-one
CID 134978023

Frequently Asked Questions

What is the IUPAC name of 1-(5-oxocyclopenten-1-yl)pent-4-enyl acetate?
The IUPAC name of 1-(5-oxocyclopenten-1-yl)pent-4-enyl acetate (CID 86225314) is 1-(5-oxocyclopenten-1-yl)pent-4-enyl acetate.
What is the SMILES notation for 1-(5-oxocyclopenten-1-yl)pent-4-enyl acetate?
The canonical SMILES for 1-(5-oxocyclopenten-1-yl)pent-4-enyl acetate is C=CCCC(OC(C)=O)C1=CCCC1=O.
What is the InChIKey of 1-(5-oxocyclopenten-1-yl)pent-4-enyl acetate?
The InChIKey is DODBXAWAXJAUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-3-4-8-12(15-9(2)13)10-6-5-7-11(10)14/h3,6,12H,1,4-5,7-8H2,2H3.
What are the key properties of 1-(5-oxocyclopenten-1-yl)pent-4-enyl acetate?
1-(5-oxocyclopenten-1-yl)pent-4-enyl acetate has a molecular weight of 208.26 g/mol, XLogP of 2.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-oxocyclopenten-1-yl)pent-4-enyl acetate is sourced from PubChem (CID 86225314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).