Basic information
- Standard SMILES
C=C(C)[C@@](O)(CC)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)(C)c1ccccc1- InChIKey
OZBWYRJUQQZAEG-CFKGEZKQSA-N- Molecular formula
- C23H34O3
- Average molar mass
- 358.5 g/mol
Names & identifiers
- Preferred name
- (2S)-2-ethyl-2-hydroxy-3-methyl-but-3-enoic acid (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)-cyclohexyl ester
- IUPAC
- [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2S)-2-ethyl-2-hydroxy-3-methylbut-3-enoate
Names & synonyms
OZBWYRJUQQZAEG-CFKGEZKQSA-N(2S)-2-ethyl-2-hydroxy-3-methyl-but-3-enoic acid (1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)-cyclohexyl ester
Database identifiers
- PubChem CID
- 11530561
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 504
Related reactions
1 records
Compound notes
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