tert-butyl 4-formyl-2,6-dimethoxyphenyl carbonate

• ChemBase ID: 71437
• Molecular Formular: C14H18O6
• Molecular Mass: 282.28912
• Monoisotopic Mass: 282.1103383
• SMILES: c1(c(cc(cc1OC)C=O)OC)OC(=O)OC(C)(C)C
• Canonical SMILES: COc1cc(C=O)cc(c1OC(=O)OC(C)(C)C)OC
• InChI: InChI=1S/C14H18O6/c1-14(2,3)20-13(16)19-12-10(17-4)6-9(8-15)7-11(12)18-5/h6-8H,1-5H3
• InChIKey: ZFYDFGZRVSBRCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-formyl-2,6-dimethoxyphenyl carbonate
• IUPAC Traditional name: tert-butyl 4-formyl-2,6-dimethoxyphenyl carbonate
• Synonyms: tert-Butyl 4-formyl-2,6-dimethoxyphenyl carbonate

Database IDs

• MDL Number: MFCD22383950
• PubChem SID: 162037027
• PubChem CID: 71299234

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.6509173
• LogD (pH = 7.4): 2.6509173
• Log P: 2.6509173
• Molar Refractivity: 72.13 cm^3
• Polarizability: 27.97749 Å^3
• Polar Surface Area: 71.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT

Product Information

• Purity: >95%; >97%