Basic information
- CAS
2412-84-2- Standard SMILES
CCCCCCCCCCC(C)CC(=O)OC- InChIKey
FFBFHGJWMSIJET-UHFFFAOYSA-N- Molecular formula
- C15H30O2
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 242.2245802
Names & identifiers
- Preferred name
- Methyl 3-methyltridecanoate
- IUPAC
- methyl 3-methyltridecanoate
- English name
- 3-Methyltridecanoic acid methyl ester
- Molecular formula
- C15H30O2
- Molecular weight
- 242.4
Names & synonyms
Methyl 3-methyltridecanoate2412-84-2Tridecanoic acid, 3-methyl-, methyl esterDTXSID80339168RefChem:355128DTXCID30290250FFBFHGJWMSIJET-UHFFFAOYSA-N3-Methyltridecanoic acid methyl esterMethyl 3-methyltridecanoate #
Database identifiers
- CAS
2412-84-2- PubChem CID
- 554161
- DTXSID
DTXSID80339168- Nikkaji
- J133.769F
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 12
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 281.3 · 281.3±8.0 °C(Predicted)
- Density
- 0.865 · 0.865±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…