2-Propenoic acid, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester
Basic information
- CAS
30392-11-1- Standard SMILES
C=CC(=O)Oc1c(C(C)(C)C)cc(C)cc1C(C)(C)C- InChIKey
QGMNRSRPONKEIB-UHFFFAOYSA-N- Molecular formula
- C18H26O2
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.19328007
Names & identifiers
- Preferred name
- 2-Propenoic acid, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl ester
- IUPAC
- (2,6-ditert-butyl-4-methylphenyl) prop-2-enoate
Names & synonyms
30392-11-1DTXSID204544002-Propenoic acid, 2,6-bis(1,1-dimethylethyl)-4-methylphenyl esterRefChem:266261DTXCID60405219SCHEMBL260788332,6-DI-TERT-BUTYL-4-METHYLPHENYL PROP-2-ENOATE
Database identifiers
- CAS
30392-11-1- PubChem CID
- 11076641
- DTXSID
DTXSID20454400
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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