[(E)-4-hexadecanoyloxybut-2-enyl] benzoate
Basic information
- CAS
59863-55-7- Standard SMILES
CCCCCCCCCCCCCCCC(=O)OC/C=C/COC(=O)c1ccccc1- InChIKey
WZXLLNLUJHYOJE-VHEBQXMUSA-N- Molecular formula
- C27H42O4
- Average molar mass
- 430.6 g/mol
- Monoisotopic mass
- 430.30830982
Names & identifiers
- Preferred name
- [(E)-4-hexadecanoyloxybut-2-enyl] benzoate
- IUPAC
- [(E)-4-hexadecanoyloxybut-2-enyl] benzoate
Names & synonyms
NSC27458059863-55-7SCHEMBL11610331DTXSID80421875NSC-274580(2E)-4-(Hexadecanoyloxy)but-2-en-1-yl benzoate
Database identifiers
- CAS
59863-55-7- PubChem CID
- 6071966
- DTXSID
DTXSID80421875
Properties
Computed structural properties
- XLogP
- 9.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 21
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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