Basic information
- Standard SMILES
CCCCCC(C)(O)C#CC1C(O)CC(=O)C1CCCCCCC(=O)OC- InChIKey
QANIGEGOMHYEFS-UHFFFAOYSA-N- Molecular formula
- C22H36O5
- Average molar mass
- 380.5 g/mol
Names & identifiers
- Preferred name
- Methyl 3-hydroxy-2-(3-hydroxy-3-methyl-1-octynyl)-5-oxocyclopentaneheptanoate
- IUPAC
- methyl 7-[3-hydroxy-2-(3-hydroxy-3-methyloct-1-ynyl)-5-oxocyclopentyl]heptanoate
Names & synonyms
SCHEMBL11788833QANIGEGOMHYEFS-UHFFFAOYSA-Nmethyl 3-hydroxy-2-(3-hydroxy-3-methyl-1-octynyl)-5-oxocyclopentaneheptanoate
Database identifiers
- PubChem CID
- 21521703
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 543
Related reactions
2 records
Compound notes
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