4-(2-Tert-butoxycarbonyl-vinyl)-3-ethyl-5-methyl-benzoic acid benzyl ester
Basic information
- Standard SMILES
CCc1cc(C(=O)OCc2ccccc2)cc(C)c1C=CC(=O)OC(C)(C)C- InChIKey
VCLLRIGGDAVCIO-UHFFFAOYSA-N- Molecular formula
- C24H28O4
- Average molar mass
- 380.5 g/mol
Names & identifiers
- Preferred name
- 4-(2-Tert-butoxycarbonyl-vinyl)-3-ethyl-5-methyl-benzoic acid benzyl ester
- IUPAC
- benzyl 3-ethyl-5-methyl-4-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]benzoate
Names & synonyms
4-(2-tert-butoxycarbonyl-vinyl)-3-ethyl-5-methyl-benzoic acid benzyl ester1011263-87-8SCHEMBL3224395VCLLRIGGDAVCIO-UHFFFAOYSA-NDB-339648
Database identifiers
- PubChem CID
- 68555877
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 539
Related reactions
2 records
Compound notes
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