Basic information
- Standard SMILES
COCCOC(=O)/C=C\[C@H]1[C@@H](C(=O)O[C@H](C)c2cccc(Oc3ccccc3)c2)C1(C)C- InChIKey
DPCZMURISNYMFK-DPOVOQACSA-N- Molecular formula
- C26H30O6
- Average molar mass
- 438.5 g/mol
- Monoisotopic mass
- 438.20423867
Names & identifiers
- Preferred name
- (R)alpha-methyl-3-phenoxy-benzyl (IR,cis) 2,2-dimethyl-3-[(Z) 3-oxo-3-(2-methoxyethoxy)-1-propenyl]-cyclopropane-carboxylate
- IUPAC
- trans-[(1R)-1-(3-phenoxyphenyl)ethyl] (1R,3S)-3-[(Z)-3-(2-methoxyethoxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Names & synonyms
SCHEMBL11000699DPCZMURISNYMFK-DPOVOQACSA-N(R)alpha-methyl-3-phenoxy-benzyl (IR,cis) 2,2-dimethyl-3-[(Z) 3-oxo-3-(2-methoxyethoxy)-1-propenyl]-cyclopropane-carboxylate
Database identifiers
- PubChem CID
- 70489338
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 71.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 651
Related reactions
2 records
Compound notes
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