Basic information
- CAS
42585-77-3- Standard SMILES
CCCCCCCCCCCCCCCC/C(C)=C\C(=O)OC- InChIKey
AZZOYVMQHRIZAE-VXPUYCOJSA-N- Molecular formula
- C21H40O2
- Average molar mass
- 324.5 g/mol
- Monoisotopic mass
- 324.30283051
Names & identifiers
- Preferred name
- Methyl (2Z)-3-methylnonadec-2-enoate
- IUPAC
- methyl (Z)-3-methylnonadec-2-enoate
Names & synonyms
NSC22659642585-77-3DTXSID90420930Methyl (2Z)-3-methylnonadec-2-enoateNSC-226596
Database identifiers
- CAS
42585-77-3- PubChem CID
- 5773846
- DTXSID
DTXSID90420930
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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