Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate
Basic information
- CAS
3971-54-8- Standard SMILES
CCCCCCCC[C@@H]1C[C@@H]1CCCCCCCC(=O)OC- InChIKey
WKDUVICSOMXTKJ-MOPGFXCFSA-N- Molecular formula
- C20H38O2
- Average molar mass
- 310.5 g/mol
- Monoisotopic mass
- 310.28718045
Overview
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Names & identifiers
- Preferred name
- Methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate
- IUPAC
- methyl 8-[(1S,2R)-2-octylcyclopropyl]octanoate
- English name
- Methyl cis-9,10-methyleneoctadecanoate
- Molecular formula
- C20H38O2
- Molecular weight
- 310.52
Names & synonyms
methyl 8-[(1s,2r)-2-octylcyclopropyl]octanoate3971-54-8Cyclopropaneoctanoic acid, 2-octyl-, methyl ester, cis-Methyl 2-octylcyclopropaneoctanoate cis-DTXSID10960308METHYL DIHYDROSTERULATEMethyl cis-9,10-methyleneoctadecanoateMethyl cis-8-(2-octylcyclopropyl)octanoate(+/-)-cis-9,10-methyleneoctadecanoic*acid methylcis-9,10-Methyleneoctadecanoic Acid methyl esterCyclopropaneoctanoic acid, 2-octyl-, methyl ester, (1R,2S)-rel-Methyl cis-9,10-methylene-octadecanoate (Methyl dihydrosterculate)
Show more names
Methyl cis-9,10-methylene-octadecanoate (Methyl dihydrosterculate), Unsaturated fatty acid
Database identifiers
- CAS
3971-54-8- PubChem CID
- 107485
- DTXSID
DTXSID10960308- Nikkaji
- J221.352D
Properties
Computed structural properties
- XLogP
- 8.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 16
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Boiling point
- 362.66 · 362.660±10.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 0.896 · 0.896±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Chloroform: Soluble; Ethanol: Soluble; Methanol: Soluble
- form
- A liquid
Chemistry & industry
Applications
Descriptioncis-9,10-Methyleneoctadecanoic acid methyl ester is a cyclopropane fatty acid methyl ester.1 It stimulates DNA synthesis in rat hepatocytes. cis-9,10-Methyleneoctadecanoic acid methyl ester has been used as a standard for the quantification of cis-9,10-methyleneoctadecanoic acid in bacterial membranes by co-chromatography.2
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Compound notes
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