1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate
Basic information
- CAS
60546-63-6- Standard SMILES
COc1cc(CC(=O)OC(C)(C)C)cc(OC)c1OC- InChIKey
RTXUWSFXEGMJIS-UHFFFAOYSA-N- Molecular formula
- C15H22O5
- Average molar mass
- 282.33 g/mol
- Monoisotopic mass
- 282.1467238
Names & identifiers
- Preferred name
- 1,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetate
- IUPAC
- tert-butyl 2-(3,4,5-trimethoxyphenyl)acetate
- English name
- tert-Butyl 2-(3,4,5-trimethoxyphenyl)acetate
- Molecular formula
- C15H22O5
- Molecular weight
- 282.33
Names & synonyms
60546-63-61,1-Dimethylethyl 3,4,5-trimethoxybenzeneacetateRefChem:213865tert-butyl 2-(3,4,5-trimethoxyphenyl)acetate(3,4,5-Trimethoxyphenyl)acetic acid, tert-butyl esterRTXUWSFXEGMJIS-UHFFFAOYSA-NDTXSID501235708AKOS024324794tert-Butyl (3,4,5-trimethoxyphenyl)acetateBenzeneacetic acid, 3,4,5-trimethoxy-, 1,1-dimethylethyl ester
Database identifiers
- CAS
60546-63-6- PubChem CID
- 3606004
- DTXSID
DTXSID501235708
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Boiling point
- 354.1 · 354.1±37.0 °C(Predicted)
- Density
- 1.07 · 1.070±0.06 g/cm3(Predicted)
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Compound notes
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