Basic information
- CAS
23373-12-8- Standard SMILES
CC(C)CC(C)(C)CC(=O)O- InChIKey
BWMXRNGZUDOSJR-UHFFFAOYSA-N- Molecular formula
- C9H18O2
- Average molar mass
- 158.24 g/mol
- Monoisotopic mass
- 158.13067981
Names & identifiers
- Preferred name
- 3,3,5-Trimethylhexanoic acid
- IUPAC
- 3,3,5-trimethylhexanoic acid
Names & synonyms
3,3,5-trimethylhexanoic acid23373-12-8DTXSID60603192RefChem:270120DTXCID40553949SCHEMBL1067575BWMXRNGZUDOSJR-UHFFFAOYSA-NAKOS017530989EN300-1866669
Database identifiers
- CAS
23373-12-8- PubChem CID
- 20163797
- DTXSID
DTXSID60603192- Nikkaji
- J304.976K
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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