Ethyl 5-tert-butyl-2-ethoxybenzoate
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Basic information
- CAS
870007-41-3- Standard SMILES
CCOC(=O)c1cc(C(C)(C)C)ccc1OCC- InChIKey
NMWYXWYLTLPROQ-UHFFFAOYSA-N- Molecular formula
- C15H22O3
- Average molar mass
- 250.33 g/mol
- Monoisotopic mass
- 250.15689456
Names & identifiers
- Preferred name
- Ethyl 5-tert-butyl-2-ethoxybenzoate
- IUPAC
- ethyl 5-tert-butyl-2-ethoxybenzoate
Names & synonyms
870007-41-3Ethyl 5-(1,1-dimethylethyl)-2-ethoxybenzoateethyl 5-tert-butyl-2-ethoxybenzoateethyl 5-tert-butyl-2-ethoxy-benzoateSCHEMBL2010206NMWYXWYLTLPROQ-UHFFFAOYSA-NDTXSID701259110DA-33733
Database identifiers
- CAS
870007-41-3- PubChem CID
- 57732360
- DTXSID
DTXSID701259110
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
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Related reactions
1 records
Compound notes
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