Basic information
- Standard SMILES
CCCCCC(C#CC1C(O)CC(=O)C1CCCCCCC(=O)OC)OC1CCCCO1- InChIKey
FEOJKPGKDGEQGD-UHFFFAOYSA-N- Molecular formula
- C26H42O6
- Average molar mass
- 450.6 g/mol
Names & identifiers
- Preferred name
- methyl 3(RS)-hydroxy-2-(3(RS)-[tetrahydropyran-2-yl]oxy-1-octynyl)-5-oxocyclopentane-heptanoate
- IUPAC
- methyl 7-[3-hydroxy-2-[3-(oxan-2-yloxy)oct-1-ynyl]-5-oxocyclopentyl]heptanoate
Names & synonyms
SCHEMBL11794745FEOJKPGKDGEQGD-UHFFFAOYSA-Nmethyl 3(RS)-hydroxy-2-(3(RS)-[tetrahydropyran-2-yl]oxy-1-octynyl)-5-oxocyclopentane-heptanoate
Database identifiers
- PubChem CID
- 21521713
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 633
Related reactions
1 records
Compound notes
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