Basic information
- CAS
5693-01-6- Standard SMILES
CCCCCCCC(C(=O)O)C(CCCCCCC)C(=O)O- InChIKey
BRBZALFGYLTQGD-UHFFFAOYSA-N- Molecular formula
- C18H34O4
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.24570956
Names & identifiers
- Preferred name
- 2,3-Diheptylbutanedioic acid
- IUPAC
- 2,3-diheptylbutanedioic acid
Names & synonyms
2,3-diheptylbutanedioic acid5693-01-6NSC143980SCHEMBL26969032DTXSID00301524NSC-143980
Database identifiers
- CAS
5693-01-6- PubChem CID
- 286147
- DTXSID
DTXSID00301524
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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