Ethyl 3-[3,5-bis(1-methylethyl)phenyl]-2-propenoate
Basic information
- CAS
94201-33-9- Standard SMILES
CCOC(=O)C=Cc1cc(C(C)C)cc(C(C)C)c1- InChIKey
CCDVTESUSACXIP-UHFFFAOYSA-N- Molecular formula
- C17H24O2
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.17763
Names & identifiers
- Preferred name
- Ethyl 3-[3,5-bis(1-methylethyl)phenyl]-2-propenoate
- IUPAC
- ethyl 3-[3,5-di(propan-2-yl)phenyl]prop-2-enoate
Names & synonyms
Ethyl 3-[3,5-bis(1-methylethyl)phenyl]-2-propenoate94201-33-9DTXSID701221456NS00013660ethyl 3-[3,5-di(propan-2-yl)phenyl]prop-2-enoate
Database identifiers
- CAS
94201-33-9- PubChem CID
- 36182
- DTXSID
DTXSID701221456- EC Number
- 303-618-1
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 288
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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