Basic information
- CAS
104750-89-2- Standard SMILES
CCCC/C=C\CCCCCCCC/C=C/CCOC(C)=O.CCCC/C=C\CCCCCCCCC/C=C/COC(C)=O- InChIKey
VURZEPFDGGWCTR-NXAAZBNXSA-N- Molecular formula
- C40H72O4
- Average molar mass
- 617 g/mol
- Monoisotopic mass
- 616.54306077
Names & identifiers
- Preferred name
- [(2E,13Z)-octadeca-2,13-dienyl] acetate;[(3E,13Z)-octadeca-3,13-dienyl] acetate
- IUPAC
- [(2E,13Z)-octadeca-2,13-dienyl] acetate;[(3E,13Z)-octadeca-3,13-dienyl] acetate
Names & synonyms
104750-89-2
Database identifiers
- CAS
104750-89-2- PubChem CID
- 6442909
Properties
Computed structural properties
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 32
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 584
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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