3-Octylhexanedioic acid
Basic information
- CAS
83797-33-5- Standard SMILES
CCCCCCCCC(CCC(=O)O)CC(=O)O- InChIKey
QLUOMKQKWNQHOL-UHFFFAOYSA-N- Molecular formula
- C14H26O4
- Average molar mass
- 258.35 g/mol
- Monoisotopic mass
- 258.18310931
Names & identifiers
- Preferred name
- 3-Octylhexanedioic acid
- IUPAC
- 3-octylhexanedioic acid
Names & synonyms
3-OCTYLHEXANEDIOIC ACID83797-33-5DTXSID20512837RefChem:281423DTXCID304636443-octyladipic acidSCHEMBL1768763
Database identifiers
- CAS
83797-33-5- PubChem CID
- 12914697
- DTXSID
DTXSID20512837
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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