I(2)-Ionylideneacetaldehyde

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Basic information

CAS: 1209-68-3
Standard SMILES: CC(C=CC1=C(C)CCCC1(C)C)=CC=O
InChIKey: OPSSCPNCFKJCFR-UHFFFAOYSA-N
Molecular formula: C15H22O
Average molar mass: 218.33 g/mol
Monoisotopic mass: 218.16706532

Names & identifiers

Preferred name: I(2)-Ionylideneacetaldehyde
IUPAC: 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienal

Names & synonyms

1209-68-3(7E,9Z)-beta-Ionylidene acetaldehydeI(2)-IonylideneacetaldehydeSCHEMBL34470843-METHYL-5-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)PENTA-2,4-DIENAL3-METHYL-5-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-2,4-PENTADIENAL

Database identifiers

CAS: 1209-68-3
PubChem CID: 229904
DTXSID: DTXSID501312875

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 16
Formal charge: 0
Complexity: 354

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Compound notes

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