Methyl 7-[2-(5-cyclohexyl-4-fluoro-3-hydroxypent-1-ynyl)-3,5-dihydroxycyclopentyl]hept-5-enoate
Basic information
- CAS
94481-71-7- Standard SMILES
COC(=O)CCCC=CCC1C(O)CC(O)C1C#CC(O)C(F)CC1CCCCC1- InChIKey
HWMRWBDFNNCFJE-UHFFFAOYSA-N- Molecular formula
- C24H37FO5
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.26250244
Names & identifiers
- Preferred name
- Methyl 7-[2-(5-cyclohexyl-4-fluoro-3-hydroxypent-1-ynyl)-3,5-dihydroxycyclopentyl]hept-5-enoate
- IUPAC
- methyl 7-[2-(5-cyclohexyl-4-fluoro-3-hydroxypent-1-ynyl)-3,5-dihydroxycyclopentyl]hept-5-enoate
Names & synonyms
94481-71-7DTXSID701109430NS000666695-Heptenoic acid, 7-[2-(5-cyclohexyl-4-fluoro-3-hydroxy-1-pentynyl)-3,5-dihydroxycyclopentyl]-, methyl esterEINECS 305-398-2, CID6366552, Methyl 7-(2-(5-cyclohexyl-4-fluoro-3-hydroxypent-1-ynyl)-3,5-dihydroxycyclopentyl)hept-5-enoate, 94481-71-7
Database identifiers
- CAS
94481-71-7- PubChem CID
- 3024367
- DTXSID
DTXSID701109430- EC Number
- 305-398-2
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 616
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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