Ethyl cis-(-)-chrysanthemate
Basic information
- CAS
16642-27-6- Standard SMILES
CCOC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C- InChIKey
VIMXTGUGWLAOFZ-NXEZZACHSA-N- Molecular formula
- C12H20O2
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.14632988
Names & identifiers
- Preferred name
- Ethyl cis-(-)-chrysanthemate
- IUPAC
- trans-ethyl (1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Names & synonyms
Ethyl cis-(-)-chrysanthemateSCHEMBL10712272796M2H368816642-27-6Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, ethyl ester, (1S,3R)-
Database identifiers
- CAS
16642-27-6- PubChem CID
- 719271
- UNII
- 796M2H3688
- Nikkaji
- J1.533.114C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 259
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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