Methyl all-trans-9,12,15-octadecatrienoate
Basic information
- CAS
14202-25-6- Standard SMILES
CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)OC- InChIKey
DVWSXZIHSUZZKJ-JSIPCRQOSA-N- Molecular formula
- C19H32O2
- Average molar mass
- 292.5 g/mol
- Monoisotopic mass
- 292.24023026
Overview
methyl elaidolinolenate has been reported in Anchietea salutaris, Daphne odora, and other organisms with data available.
Names & identifiers
- Preferred name
- Methyl all-trans-9,12,15-octadecatrienoate
- IUPAC
- methyl (9E,12E,15E)-octadeca-9,12,15-trienoate
- English name
- LINOLENELAIDIC ACID METHYL ESTER
- Molecular formula
- C19H32O2
- Molecular weight
- 292.46
Names & synonyms
Methyl elaidolinolenate14202-25-6KP5Q9IL45PElaidolinolenic acid, methyl esterMethyl all-trans-9,12,15-octadecatrienoateMethyl 9E,12E,15E-octadecatrienoate9,12,15-Octadecatrienoic acid, methyl ester, (9E,12E,15E)-DTXSID401267378RefChem:1089532DTXCID20209775methyl (9E,12E,15E)-octadeca-9,12,15-trienoateMethyl 9,12,15-octadecatrienoate
Show more names
Methyl linolenelaidatelinolenelaidicacidmethylestertrans-9,12,15-Octadecatrienoic acid methyl estertrans-9,12,15-Octadecatrienoic acid methyl ester, Linolenelaidic acid methyl ester
9,12,15-Octadecatrienoic acid, methyl esterUNII-KP5Q9IL45PLinolenic acid methyl esterlinolenelaidic acid methyl ester9Z,12Z,15Z-Octadecatrienoic acid methyl esterNSC6077599,12,15-Octadecatrienoicacid, methyl esterSCHEMBL5485777
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 6.2
- 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
- 314
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Physicochemical properties
- Melting point
- -3.5 °C · -3.5 °C
- Boiling point
- 364.4 · 364.4±0.0 °C(Predicted)
- Density
- 0.895 · 0.895±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- FDA UNII
- 5 Q9IL45P · KP5Q9IL45P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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