Basic information
- Standard SMILES
CCCCCC(C)(C#CC1C(O)CC(=O)C1CCCCCCC(=O)OC)OC1CCCCO1- InChIKey
NVHUKQRWBIBIKT-UHFFFAOYSA-N- Molecular formula
- C27H44O6
- Average molar mass
- 464.6 g/mol
Names & identifiers
- Preferred name
- Methyl 3-hydroxy-2-(3-methyl-3-[tetrahydropyran-2-yl]oxy-1-octynyl)-5-oxocyclopentaneheptanoate
- IUPAC
- methyl 7-[3-hydroxy-2-[3-methyl-3-(oxan-2-yloxy)oct-1-ynyl]-5-oxocyclopentyl]heptanoate
Names & synonyms
SCHEMBL11788819NVHUKQRWBIBIKT-UHFFFAOYSA-Nmethyl 3-hydroxy-2-(3-methyl-3-[tetrahydropyran-2-yl]oxy-1-octynyl)-5-oxocyclopentaneheptanoate
Database identifiers
- PubChem CID
- 21521708
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 677
Related reactions
2 records
Compound notes
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