Basic information
- CAS
55955-74-3- Standard SMILES
CCCC(C)CCCCCC(C)C(=O)OC- InChIKey
WNNNNJOPCSUOIZ-UHFFFAOYSA-N- Molecular formula
- C14H28O2
- Average molar mass
- 228.37 g/mol
- Monoisotopic mass
- 228.20893013
Names & identifiers
- Preferred name
- Methyl 2,8-dimethylundecanoate
- IUPAC
- methyl 2,8-dimethylundecanoate
- English name
- 2,8-Dimethylundecanoic acid methyl ester
- Molecular formula
- C14H28O2
- Molecular weight
- 228.37
Names & synonyms
Methyl 2,8-dimethylundecanoate55955-74-3Undecanoic acid, 2,8-dimethyl-, methyl esterDTXSID30339971RefChem:353713DTXCID00291052WNNNNJOPCSUOIZ-UHFFFAOYSA-NMethyl 2,8-dimethylundecanoate #2,8-Dimethylundecanoic acid methyl ester
Database identifiers
- CAS
55955-74-3- PubChem CID
- 560441
- DTXSID
DTXSID30339971- Nikkaji
- J119.188H
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Boiling point
- 256.3 · 256.3±8.0 °C(Predicted)
- Density
- 0.865 · 0.865±0.06 g/cm3(Predicted)
- LogP
- 5.65 · 5.650 (est)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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