Basic information
- CAS
1314908-86-5- Standard SMILES
CCCCC(C)(C)CCC(=O)O- InChIKey
JYWKNBVQTRCKNV-UHFFFAOYSA-N- Molecular formula
- C10H20O2
- Average molar mass
- 172.26 g/mol
- Monoisotopic mass
- 172.14632988
Names & identifiers
- Preferred name
- 4,4-Dimethyloctanoic acid
- IUPAC
- 4,4-dimethyloctanoic acid
Names & synonyms
4,4-dimethyloctanoic acidSCHEMBL22500745DTXSID301020789AKOS0062777371314908-86-5
Database identifiers
- CAS
1314908-86-5- PubChem CID
- 23623908
- DTXSID
DTXSID301020789
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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