Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (2-cyanophenyl)methyl ester, (1R-trans)-
Basic information
- CAS
82488-03-7- Standard SMILES
CC(C)=C[C@@H]1[C@@H](C(=O)OCc2ccccc2C#N)C1(C)C- InChIKey
TXQQAFNZWQFPAS-CVEARBPZSA-N- Molecular formula
- C18H21NO2
- Average molar mass
- 283.4 g/mol
- Monoisotopic mass
- 283.15722891
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (2-cyanophenyl)methyl ester, (1R-trans)-
- IUPAC
- cis-(2-cyanophenyl)methyl (1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Names & synonyms
82488-03-7Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, (2-cyanophenyl)methyl ester, (1R-trans)-DTXSID90231760(2-CYANOPHENYL)METHYL (1R,3R)-2,2-DIMETHYL-3-(2-METHYLPROP-1-EN-1-YL)CYCLOPROPANE-1-CARBOXYLATE
Database identifiers
- CAS
82488-03-7- PubChem CID
- 158115
- DTXSID
DTXSID90231760
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 479
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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