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MFCD22383950 molecular structure
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tert-butyl 4-formyl-2,6-dimethoxyphenyl carbonate

ChemBase ID: 71437
Molecular Formular: C14H18O6
Molecular Mass: 282.28912
Monoisotopic Mass: 282.1103383
SMILES and InChIs

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

Cite this record

CBID:71437 http://www.chembase.cn/molecule-71437.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
MDL Number
MFCD22383950
PubChem SID
162037027
PubChem CID
71299234

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71299234 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6509173  LogD (pH = 7.4) 2.6509173 
Log P 2.6509173  Molar Refractivity 72.13 cm3
Polarizability 27.97749 Å3 Polar Surface Area 71.06 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Purity
>95% expand Show data source
>97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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