Basic information
- CAS
97187-19-4- Standard SMILES
CCCCCCCCCCCCCCCCC(C)C=C(C)C(=O)O- InChIKey
LHBAARNMEIXEDK-UHFFFAOYSA-N- Molecular formula
- C22H42O2
- Average molar mass
- 338.6 g/mol
- Monoisotopic mass
- 338.31848058
Names & identifiers
- Preferred name
- 2,4-Dimethylicos-2-enoic acid
- IUPAC
- 2,4-dimethylicos-2-enoic acid
- English name
- 2,4-Dimethyl-2-eicosenoic acid
- Molecular formula
- C22H42O2
- Molecular weight
- 338.57
Names & synonyms
SCHEMBL160590732,4-dimethyl-2-eicosenoic acid
Database identifiers
- CAS
97187-19-4- PubChem CID
- 54033166
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 452.5 · 452.5±14.0 °C(Predicted)
- Density
- 0.89 · 0.890±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- pka
- 4.94 · 4.94±0.19(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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