Basic information
- CAS
36553-43-2- Standard SMILES
CCOC(=O)[C@@H]1O[C@]1(C)c1ccc(C)cc1- InChIKey
RJQNJKOCFCXTHZ-WCQYABFASA-N- Molecular formula
- C13H16O3
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.10994437
Names & identifiers
- Preferred name
- Ethyl 3-methyl-3-(p-tolyl)glycidate, cis-
- IUPAC
- ethyl (2R,3R)-3-methyl-3-(4-methylphenyl)oxirane-2-carboxylate
Names & synonyms
FEMA no. 3757, cis-UNII-94CB7EY0N6Ethyl 3-methyl-3-(p-tolyl)glycidate, cis-94CB7EY0N636553-43-2Oxiranecarboxylic acid, 3-methyl-3-(4-methylphenyl)-, ethyl ester, cis-Oxiranecarboxylic acid, 3-methyl-3-(4-methylphenyl)-, ethyl ester, (2R,3R)-rel-DTXSID30190049RefChem:138708DTXCID90112540(+-)-ETHYL 3-METHYL-3-(P-TOLYL)GLYCIDATE, CIS-ETHYL 3-METHYL-3-(P-TOLYL)GLYCIDATE, CIS-(+-)-
Show more names
(+/-)-Ethyl 3-methyl-3-(p-tolyl)glycidate, cis-Ethyl 3-methyl-3-(p-tolyl)glycidate, cis-(+/-)-ethyl (2R,3R)-3-methyl-3-(4-methylphenyl)oxirane-2-carboxylatecis-ethyl 3-methyl-3-(p-tolyl)glycidateQ27271665
Database identifiers
- CAS
36553-43-2- PubChem CID
- 71587134
- DTXSID
DTXSID30190049- UNII
- 94CB7EY0N6
- Nikkaji
- J1.907.746B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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