Basic information
- CAS
79703-23-4- Standard SMILES
CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](C/C=C\CCCC(=O)O)[C@@H]2CC[C@H]1O2- InChIKey
IWSCITFBDCQRGG-OMFCSLQFSA-N- Molecular formula
- C21H34O4
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 350.24570956
Names & identifiers
- Preferred name
- SQ 26538
- IUPAC
- (Z)-7-[(1S,2R,3S,4R)-3-[(E,3R)-3-hydroxyoct-1-enyl]-7-oxabicyclo[2.2.1]heptan-2-yl]hept-5-enoic acid
Names & synonyms
SQ 26538SQ-2653879703-23-4RefChem:9321125-Heptenoic acid, 7-((1S,2R,3S,4R)-3-((1E,3R)-3-hydroxy-1-octen-1-yl)-7-oxabicyclo(2.2.1)hept-2-yl)-, (5Z)-
Database identifiers
- CAS
79703-23-4- PubChem CID
- 129010944
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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