Basic information
- Standard SMILES
COC(=O)/C=C\CCC12CCC(c3cccc(Oc4ccccc4)c3)(CC1)OC2- InChIKey
OGDAGKAIQXXIPB-XGICHPGQSA-N- Molecular formula
- C25H28O4
- Average molar mass
- 392.5 g/mol
Names & identifiers
- Preferred name
- (Z)-Methyl 5-(1-(3-phenoxyphenyl)-2-oxabicyclo[2.2.2]octan-4-yl)pent-2-enoate
- IUPAC
- methyl (Z)-5-[1-(3-phenoxyphenyl)-2-oxabicyclo[2.2.2]octan-4-yl]pent-2-enoate
Names & synonyms
SCHEMBL16036291OGDAGKAIQXXIPB-XGICHPGQSA-N(Z)-Methyl 5-(1-(3-phenoxyphenyl)-2-oxabicyclo[2.2.2]octan-4-yl)pent-2-enoate
Database identifiers
- PubChem CID
- 90409222
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 569
Related reactions
1 records
Compound notes
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