trans-methyl (1R,2R)-2-ethenyl-2-methylcyclopropane-1-carboxylate
Basic information
- CAS
96358-59-7- Standard SMILES
C=C[C@@]1(C)C[C@H]1C(=O)OC- InChIKey
UMUULEHNTFEYIA-XPUUQOCRSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
Names & identifiers
- Preferred name
- trans-methyl (1R,2R)-2-ethenyl-2-methylcyclopropane-1-carboxylate
- IUPAC
- trans-methyl (1R,2R)-2-ethenyl-2-methylcyclopropane-1-carboxylate
- English name
- Cyclopropanecarboxylic acid, 2-ethenyl-2-methyl-, methyl ester, cis- (9CI)
- Molecular formula
- C8H12O2
- Molecular weight
- 140.18
Names & synonyms
96358-61-1Reaxys ID: 5730699Cyclopropanecarboxylic acid, 2-ethenyl-2-methyl-, methyl ester, cis- (9CI)Cyclopropanecarboxylic acid, 2-ethenyl-2-methyl-, methyl ester, (1R,2R)-rel-
Database identifiers
- CAS
96358-59-7
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Boiling point
- 142.2 · 142.2±29.0 °C(Predicted)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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