Basic information
- CAS
56695-65-9- Standard SMILES
CCCCCCC1CCC(O)C1CCCCCCC(=O)O- InChIKey
NMAOJFAMEOVURT-UHFFFAOYSA-N- Molecular formula
- C18H34O3
- Average molar mass
- 298.5 g/mol
- Monoisotopic mass
- 298.25079494
Names & identifiers
- Preferred name
- 7-(2-Hexyl-5-hydroxycyclopentyl)heptanoic acid
- IUPAC
- 7-(2-hexyl-5-hydroxycyclopentyl)heptanoic acid
- English name
- 9-hydroxy-19,20-bisnorprostanoic acid
- Molecular weight
- 0
Names & synonyms
7-(2-hexyl-5-hydroxycyclopentyl)heptanoic acid82598-17-29-hydroxy-19,20-bisnorprostanoic acidSCHEMBL186776CHEMBL3989708AKOS016013916FR36655DA-04807NS00010590D02719Cyclopentaneheptanoic acid, 2-hexyl-5-hydroxy-
Database identifiers
- CAS
56695-65-9、82598-17-2- PubChem CID
- 68764
- DTXSID
DTXSID401021611- ChEMBL
CHEMBL3989708- Nikkaji
- J22.207K
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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