(4E,6E)-13-Methoxy-5,9,13-trimethyl-4,6-tetradecadien-3-one
Basic information
- CAS
52788-60-0- Standard SMILES
CCC(=O)/C=C(C)/C=C/CC(C)CCCC(C)(C)OC- InChIKey
VJQMYEROTZGZKU-GWGZPXPZSA-N- Molecular formula
- C18H32O2
- Average molar mass
- 280.4 g/mol
- Monoisotopic mass
- 280.24023026
Names & identifiers
- Preferred name
- (4E,6E)-13-Methoxy-5,9,13-trimethyl-4,6-tetradecadien-3-one
- IUPAC
- (4E,6E)-13-methoxy-5,9,13-trimethyltetradeca-4,6-dien-3-one
Names & synonyms
CHEMBL36858SCHEMBL11863681DTXSID701188692(4E,6E)-13-Methoxy-5,9,13-trimethyl-4,6-tetradecadien-3-one52788-60-0(4E,6E)-13-Methoxy-5,9,13-trimethyltetradeca-4,6-dien-3-one
Database identifiers
- CAS
52788-60-0- PubChem CID
- 21558046
- DTXSID
DTXSID701188692- ChEMBL
CHEMBL36858
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
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Compound notes
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