Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-benzoylphenyl)methyl ester, (1R-(1alpha,3beta(E)))-
Basic information
- CAS
115809-89-7- Standard SMILES
COC(=O)/C(C)=C/[C@@H]1[C@@H](C(=O)OCc2cccc(C(=O)c3ccccc3)c2)C1(C)C- InChIKey
ULMYYUZGWFKAPG-NQCYKCSBSA-N- Molecular formula
- C25H26O5
- Average molar mass
- 406.5 g/mol
- Monoisotopic mass
- 406.17802393
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-benzoylphenyl)methyl ester, (1R-(1alpha,3beta(E)))-
- IUPAC
- cis-(3-benzoylphenyl)methyl (1R,3R)-3-[(E)-3-methoxy-2-methyl-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Names & synonyms
115809-89-7Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, (3-benzoylphenyl)methyl ester, (1R-(1alpha,3beta(E)))-
Database identifiers
- CAS
115809-89-7- PubChem CID
- 6443345
- Nikkaji
- J246.608B
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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