Basic information
- CAS
18202-24-9- Standard SMILES
CCCCC#CCC#CCCCCCCCCC(=O)OC- InChIKey
PCBPPTPURTWNQO-UHFFFAOYSA-N- Molecular formula
- C19H30O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.2245802
Names & identifiers
- Preferred name
- Methyl 10,13-octadecadiynoate
- IUPAC
- methyl octadeca-10,13-diynoate
- English name
- 10,13-Octadecadiynoic acid methyl ester
- Molecular formula
- C19H30O2
- Molecular weight
- 290.44
Names & synonyms
METHYL 10,13-OCTADECADIYNOATE18202-24-9DTXSID30171232RefChem:353408DTXCID9093723methyl octadeca-10,13-diynoate10,13-Octadecadiynoic acid methyl ester10,13-Octadecadiynoic acid, methyl esterSCHEMBL28911638PCBPPTPURTWNQO-UHFFFAOYSA-NMethyl 10,13-octadecadiynoate #
Database identifiers
- CAS
18202-24-9- PubChem CID
- 28962
- DTXSID
DTXSID30171232- Nikkaji
- J110.900F
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Boiling point
- 386.2 · 386.2±27.0 °C(Predicted)
- Density
- 0.93 · 0.930±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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