Basic information
- CAS
55955-69-6- Standard SMILES
CCCCCCCCCC(C)C(=O)OC- InChIKey
KGVPRVBZKYLXFP-UHFFFAOYSA-N- Molecular formula
- C13H26O2
- Average molar mass
- 214.34 g/mol
- Monoisotopic mass
- 214.19328007
Names & identifiers
- Preferred name
- Methyl 2-methylundecanoate
- IUPAC
- methyl 2-methylundecanoate
- English name
- 2-Methylundecanoic acid methyl ester
- Molecular formula
- C13H26O2
- Molecular weight
- 214.34
Names & synonyms
Methyl 2-methylundecanoateMethyl ester of 2-methylundecanoic acid55955-69-6Undecanoic acid, 2-methyl-, methyl esterDTXSID70339970RefChem:354423DTXCID40291051KGVPRVBZKYLXFP-UHFFFAOYSA-NMethyl 2-methylundecanoate #SCHEMBL4957857SCHEMBL54929442-methyl-undecanoic acid methyl ester
Show more names
2-Methylundecanoic acid methyl ester
Database identifiers
- CAS
55955-69-6- PubChem CID
- 560440
- DTXSID
DTXSID70339970- Nikkaji
- J119.187J
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Boiling point
- 86 · 86-87 °C(Press: 1 Torr)
- Density
- 0.867 · 0.867±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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