4-Acetoxy-2-(6-methoxycarbonyl-3-hexynyl)-2-cyclopentenone

HCID 11076752
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Basic information

Standard SMILES
COC(=O)CCC#CCCC1=CC(OC(C)=O)CC1=O
InChIKey
KCQAAEYBCRQLBA-UHFFFAOYSA-N
Molecular formula
C15H18O5
Average molar mass
278.3 g/mol
Monoisotopic mass
278.11542367

Names & identifiers

Preferred name
4-Acetoxy-2-(6-methoxycarbonyl-3-hexynyl)-2-cyclopentenone
IUPAC
methyl 7-(3-acetyloxy-5-oxocyclopenten-1-yl)hept-4-ynoate

Names & synonyms

SCHEMBL9186852KCQAAEYBCRQLBA-UHFFFAOYSA-N4-Acetoxy-2-(6-methoxycarbonyl-3-hexynyl)-2-cyclopentenone

Database identifiers

PubChem CID
11076752

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
69.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
20

Related reactions

1 records
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Compound notes

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