Basic information
- CAS
65128-49-6- Standard SMILES
CCCCCCCCCCCCCC(C)CC(=O)OC- InChIKey
VTFOLAWZOSRSEZ-UHFFFAOYSA-N- Molecular formula
- C18H36O2
- Average molar mass
- 284.5 g/mol
- Monoisotopic mass
- 284.27153039
Names & identifiers
- Preferred name
- Methyl 3-methylhexadecanoate
- IUPAC
- methyl 3-methylhexadecanoate
Names & synonyms
Methyl 3-methylhexadecanoateHexadecanoic acid, 3-methyl-, methyl ester65128-49-6DTXSID40339169RefChem:355121DTXCID90290251VTFOLAWZOSRSEZ-UHFFFAOYSA-NMethyl 3-methylhexadecanoate #
Database identifiers
- CAS
65128-49-6- PubChem CID
- 554162
- DTXSID
DTXSID40339169- Nikkaji
- J530.582I
Properties
Computed structural properties
- XLogP
- 7.9
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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