Basic information
- Standard SMILES
C=CCCC(O)C(CC(C)C)C(=O)O- InChIKey
QTUYBQNMJFTESO-UHFFFAOYSA-N- Molecular formula
- C11H20O3
- Average molar mass
- 200.27 g/mol
- Monoisotopic mass
- 200.1412445
Names & identifiers
- Preferred name
- 3-Hydroxy-2-isobutyl-6-heptenoic acid
- IUPAC
- 3-hydroxy-2-(2-methylpropyl)hept-6-enoic acid
Names & synonyms
SCHEMBL1882682QTUYBQNMJFTESO-UHFFFAOYSA-N3-hydroxy-2-isobutyl-6-heptenoic acid
Database identifiers
- PubChem CID
- 87306563
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Related reactions
2 records
Compound notes
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