Basic information
- CAS
40266-21-5- Standard SMILES
CC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C=O- InChIKey
LRIUGFZTYQJCLE-UHFFFAOYSA-N- Molecular formula
- C17H26O3
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.18819469
Names & identifiers
- Preferred name
- 3,7,11-Trimethyl-12-oxododeca-2,6,10-trien-1-yl acetate
- IUPAC
- (3,7,11-trimethyl-12-oxododeca-2,6,10-trienyl) acetate
Names & synonyms
40266-21-5DTXSID003370853,7,11-Trimethyl-12-oxododeca-2,6,10-trien-1-yl acetate
Database identifiers
- CAS
40266-21-5- PubChem CID
- 538487
- DTXSID
DTXSID00337085
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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