2-Heptyl-2-hydroxydecanoic acid
Basic information
- CAS
93815-60-2- Standard SMILES
CCCCCCCCC(O)(CCCCCCC)C(=O)O- InChIKey
PAESUTLQSHMWOW-UHFFFAOYSA-N- Molecular formula
- C17H34O3
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.25079494
Names & identifiers
- Preferred name
- 2-Heptyl-2-hydroxydecanoic acid
- IUPAC
- 2-heptyl-2-hydroxydecanoic acid
Names & synonyms
93815-60-22-heptyl-2-hydroxydecanoic acidNSC189701DTXSID60307143NSC-189701
Database identifiers
- CAS
93815-60-2- PubChem CID
- 302597
- DTXSID
DTXSID60307143
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 240
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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