2-(Propan-2-yl)nonanoic acid
Basic information
- CAS
116988-32-0- Standard SMILES
CCCCCCCC(C(=O)O)C(C)C- InChIKey
VKCQHIOLPAHDPV-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- 2-(Propan-2-yl)nonanoic acid
- IUPAC
- 2-propan-2-ylnonanoic acid
Names & synonyms
2-(propan-2-yl)nonanoic acid2-(1-Methylethyl)nonanoic acidNSC158998116988-32-0SCHEMBL503120SCHEMBL28248703DTXSID501306064NSC-158998
Database identifiers
- CAS
116988-32-0- PubChem CID
- 292828
- DTXSID
DTXSID501306064
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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