Methyl octadec-2-ynoate
Basic information
- CAS
67587-22-8- Standard SMILES
CCCCCCCCCCCCCCCC#CC(=O)OC- InChIKey
OAMBEYKOQJEPNI-UHFFFAOYSA-N- Molecular formula
- C19H34O2
- Average molar mass
- 294.5 g/mol
- Monoisotopic mass
- 294.25588032
Names & identifiers
- Preferred name
- Methyl octadec-2-ynoate
- IUPAC
- methyl octadec-2-ynoate
Names & synonyms
methyl octadec-2-ynoate67587-22-8DTXSID60290324RefChem:356796DTXCID40241470methyl octadecynoateNSC68020NSC-68020
Database identifiers
- CAS
67587-22-8- PubChem CID
- 249585
- DTXSID
DTXSID60290324
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 295
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Compound notes
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