Basic information
- CAS
3005-07-0- Standard SMILES
CCCC(C)CC(C)CC(C)C(=O)O- InChIKey
HFCUHXDRLANYGS-UHFFFAOYSA-N- Molecular formula
- C12H24O2
- Average molar mass
- 200.32 g/mol
- Monoisotopic mass
- 200.17763
Names & identifiers
- Preferred name
- Nonanoic acid, 2,4,6-trimethyl-
- IUPAC
- 2,4,6-trimethylnonanoic acid
Names & synonyms
Nonanoic acid, 2,4,6-trimethyl-3005-07-0DTXSID00469698RefChem:365857DTXCID904205162,4,6-trimethylnonanoic AcidSCHEMBL5634029HFCUHXDRLANYGS-UHFFFAOYSA-N
Database identifiers
- CAS
3005-07-0- PubChem CID
- 11629792
- DTXSID
DTXSID00469698- Nikkaji
- J2.374.503H
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…