Methyl hexadeca-9,12-dienoate
Basic information
- CAS
2462-80-8- Standard SMILES
CCCC=CCC=CCCCCCCCC(=O)OC- InChIKey
VYFSOVMGRZVLMP-UHFFFAOYSA-N- Molecular formula
- C17H30O2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.2245802
Names & identifiers
- Preferred name
- Methyl hexadeca-9,12-dienoate
- IUPAC
- methyl hexadeca-9,12-dienoate
- English name
- 9,12-Hexadecadienoic acid methyl ester
- Molecular formula
- C17H30O2
- Molecular weight
- 266.42
Names & synonyms
METHYL HEXADECA-9,12-DIENOATE2462-80-8DTXSID70947519RefChem:1089576DTXCID4013757779,12-Hexadecadienoic acid, methyl estermethyl 9,12-hexadecadienoateSCHEMBL4736711Methyl 9(Z),12(Z)-Hexadecadienoate9,12-Hexadecadienoic acid methyl ester
Database identifiers
- CAS
2462-80-8- PubChem CID
- 549033
- DTXSID
DTXSID70947519
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 342.2 · 342.2±21.0 °C(Predicted)
- Density
- 0.888 · 0.888±0.06 g/cm3(Predicted)
- FDA UNII
- 5 PH37SJ2NL · 5PH37SJ2NL
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Related reactions
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Compound notes
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