Methyl 3,4-dimethyl-1-phenylcyclopent-3-ene-1-carboxylate
Basic information
- CAS
72410-55-0- Standard SMILES
COC(=O)C1(c2ccccc2)CC(C)=C(C)C1- InChIKey
JGHCITBXKYMNRD-UHFFFAOYSA-N- Molecular formula
- C15H18O2
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.13067981
Names & identifiers
- Preferred name
- Methyl 3,4-dimethyl-1-phenylcyclopent-3-ene-1-carboxylate
- IUPAC
- methyl 3,4-dimethyl-1-phenylcyclopent-3-ene-1-carboxylate
Names & synonyms
methyl 3,4-dimethyl-1-phenylcyclopent-3-ene-1-carboxylateDTXSID401197672Methyl 3,4-dimethyl-1-phenyl-3-cyclopentene-1-carboxylate72410-55-0
Database identifiers
- CAS
72410-55-0- PubChem CID
- 101050243
- DTXSID
DTXSID401197672- Nikkaji
- J1.329.837H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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