Methyl octadec-8-enoate
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Basic information
- CAS
2345-29-1- Standard SMILES
CCCCCCCCCC=CCCCCCCC(=O)OC- InChIKey
KXOOHHMDCDXCBV-UHFFFAOYSA-N- Molecular formula
- C19H36O2
- Average molar mass
- 296.5 g/mol
- Monoisotopic mass
- 296.27153039
Names & identifiers
- Preferred name
- Methyl octadec-8-enoate
- IUPAC
- methyl octadec-8-enoate
- English name
- (E)-8-Octadecenoic acid methyl ester
- Molecular formula
- C19H36O2
- Molecular weight
- 296.49
Names & synonyms
METHYL OCTADEC-8-ENOATEDTXSID7033753726528-50-7RefChem:356797DTXCID602886258-octadecenoic acid methyl ester2345-29-1SCHEMBL37109218(Z)-Octadecenoic acid Methyl Ester(E)-8-Octadecenoic acid methyl ester8-Octadecenoic acid, methyl ester, (8E)-
Database identifiers
- CAS
2345-29-1、26528-50-7- PubChem CID
- 543299
- DTXSID
DTXSID70337537
Properties
Computed structural propertiesFilling in
- XLogP
- 7.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 370.9 · 370.9±21.0 °C(Predicted)
- Density
- 0.873 · 0.873±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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