Methyl 5,8,11-heptadecatriynoate
Basic information
- CAS
56554-57-5- Standard SMILES
CCCCCC#CCC#CCC#CCCCC(=O)OC- InChIKey
VDCFKSNWTRZOAQ-UHFFFAOYSA-N- Molecular formula
- C18H24O2
- Average molar mass
- 272.4 g/mol
- Monoisotopic mass
- 272.17763
Names & identifiers
- Preferred name
- Methyl 5,8,11-heptadecatriynoate
- IUPAC
- methyl heptadeca-5,8,11-triynoate
- English name
- 5,8,11-Heptadecatriynoic acid methyl ester
- Molecular formula
- C18H24O2
- Molecular weight
- 272.38
Names & synonyms
Methyl 5,8,11-heptadecatriynoate56554-57-5DTXSID40342471RefChem:355877DTXCID00293551methyl heptadeca-5,8,11-triynoate5,8,11-Heptadecatriynoic acid methyl ester5,8,11-Heptadecatriynoic acid, methyl esterVDCFKSNWTRZOAQ-UHFFFAOYSA-NMethyl 5,8,11-heptadecatriynoate #DB-255248
Database identifiers
- CAS
56554-57-5- PubChem CID
- 582271
- DTXSID
DTXSID40342471- Nikkaji
- J110.911A
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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