Methyl 8-oxooctadeca-9,11-diynoate
Basic information
- CAS
75125-35-8- Standard SMILES
CCCCCCC#CC#CC(=O)CCCCCCC(=O)OC- InChIKey
GTUGJAFXTRBDBX-UHFFFAOYSA-N- Molecular formula
- C19H28O3
- Average molar mass
- 304.4 g/mol
- Monoisotopic mass
- 304.20384475
Names & identifiers
- Preferred name
- Methyl 8-oxooctadeca-9,11-diynoate
- IUPAC
- methyl 8-oxooctadeca-9,11-diynoate
- English name
- 8-Oxo-9,11-octadecadiynoic acid methyl ester
- Molecular weight
- 0
Names & synonyms
methyl 8-oxooctadeca-9,11-diynoate75125-35-8DTXSID10344205RefChem:356464DTXCID302952809,11-Octadecadiynoic acid, 8-oxo-, methyl esterGTUGJAFXTRBDBX-UHFFFAOYSA-NMethyl 8-oxo-9,11-octadecadiynoate #8-Oxo-9,11-octadecadiynoic acid methyl ester
Database identifiers
- CAS
75125-35-8- PubChem CID
- 595093
- DTXSID
DTXSID10344205- Nikkaji
- J146.877D
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 450
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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