5-Octen-4-ol, 2,7-dimethyl-, acetate

HCID 7614

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Basic information

CAS: 102-58-9
Standard SMILES: CC(C)=CCC(CC(C)C)OCC=O
InChIKey: WPZHLSFMGCSZMV-UHFFFAOYSA-N
Molecular formula: C12H22O2
Average molar mass: 198.3 g/mol
Monoisotopic mass: 198.16197994

Names & identifiers

Preferred name: 5-Octen-4-ol, 2,7-dimethyl-, acetate
IUPAC: 2-(2,7-dimethyloct-6-en-4-yloxy)acetaldehyde

Names & synonyms

5-Octen-4-ol, 2,7-dimethyl-, acetateRefChem:5374912-(2,7-dimethyloct-6-en-4-yloxy)acetaldehydeDimethyl octenyl acetate2,7-Dimethyl-5-octen-4-yl acetate2,7-Dimethyl-6-octen-4-yl acetateAI3-263716-OCTEN-4-OL, 2,7-DIMETHYL-, ACETATESCHEMBL15914221

Database identifiers

CAS: 102-58-9
PubChem CID: 7614

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 14
Formal charge: 0
Complexity: 179

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