3,4-Heptadien-2-one, 3-cyclopentyl-6-methyl-

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Basic information

CAS: 63922-50-9
Standard SMILES: CC(=O)C(=C=CC(C)C)C1CCCC1
InChIKey: ZGVGSONYUNQYKI-UHFFFAOYSA-N
Molecular formula: C13H20O
Average molar mass: 192.3 g/mol
Monoisotopic mass: 192.15141526

Names & identifiers

Preferred name: 3,4-Heptadien-2-one, 3-cyclopentyl-6-methyl-
IUPAC: 3-cyclopentyl-6-methylhepta-3,4-dien-2-one
English name: 3-Cyclopentyl-6-methyl-3,4-heptadien-2-one
Molecular formula: C13H20O
Molecular weight: 192.3

Names & synonyms

3,4-Heptadien-2-one, 3-cyclopentyl-6-methyl-63922-50-9DTXSID60337086RefChem:271256DTXCID502881743-cyclopentyl-6-methylhepta-3,4-dien-2-one3-Cyclopentyl-6-methyl-3,4-heptadien-2-oneZGVGSONYUNQYKI-UHFFFAOYSA-N3-Cyclopentyl-6-methyl-3,4-heptadien-2-one #

Database identifiers

CAS: 63922-50-9
PubChem CID: 538501
DTXSID: DTXSID60337086
Nikkaji: J131.614A

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 261

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Compound notes

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