Basic information
- Standard SMILES
CCCCC(C)(C)C(O)C=CC1CCC(=O)C1CC=CCCCC(=O)O- InChIKey
LLVVDFDWPQHXBA-UHFFFAOYSA-N- Molecular formula
- C22H36O4
- Average molar mass
- 364.5 g/mol
Names & identifiers
- Preferred name
- 7-[2-(3-Hydroxy-4,4-dimethyloct-1-enyl)-5-oxocyclopentyl]hept-5-enoic acid
- IUPAC
- 7-[2-(3-hydroxy-4,4-dimethyloct-1-enyl)-5-oxocyclopentyl]hept-5-enoic acid
Names & synonyms
SCHEMBL11596612PD050725
Database identifiers
- PubChem CID
- 53394166
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
- 26
- Formal charge
- 0
- Complexity
- 504
Related reactions
1 records
Compound notes
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