Basic information
- CAS
2490-53-1- Standard SMILES
CCCCCCCCCCCCCCC(C)C(=O)OC- InChIKey
OAMQXAKDCJRWHE-UHFFFAOYSA-N- Molecular formula
- C18H36O2
- Average molar mass
- 284.5 g/mol
- Monoisotopic mass
- 284.27153039
Overview
Methyl 2-methylhexadecanoate has been reported in Allium ampeloprasum with data available.
Names & identifiers
- Preferred name
- Methyl 2-methylhexadecanoate
- IUPAC
- methyl 2-methylhexadecanoate
- English name
- 2-Methylhexadecanoic acid methyl ester
- Molecular formula
- C18H36O2
- Molecular weight
- 284.48
Names & synonyms
Methyl 2-methylhexadecanoateHexadecanoic acid, 2-methyl-, methyl esterMethyl 2-methylpalmitateDTXSID30947792RefChem:157364Methyl 2-methylhexadecanoic acidDTXCID401376044OAMQXAKDCJRWHE-UHFFFAOYSA-N2490-53-1DL-alpha-Methylpalmitic acid methyl estermethyl 2-methylhexadeca-noateSCHEMBL5483760
Show more names
2-methylpalmitic acid methyl esterα-Methylpalmitic acid methyl esterDL-α-Methylpalmitic acid methyl ester2-Methylhexadecanoic acid methyl ester
2-Methyl-palmitylic acidmethyl esterDL-?-Methylpalmitic acid methyl esterFM1722832-Methyl-hexadecyl-carboxylic acid methyl esterM-4284
Database identifiers
- CAS
2490-53-1- PubChem CID
- 94236
- DTXSID
DTXSID30947792- Nikkaji
- J46.047H
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Boiling point
- 326.5 · 326.5±10.0 °C(Predicted)
- Density
- 0.863 · 0.863±0.06 g/cm3(Predicted)
- LogP
- 7.762 · 7.762 (est)
Chemistry & industry
Suppliers1 total
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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