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105859-44-7 molecular structure
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methyl (2R)-3-[(tert-butyldimethylsilyl)oxy]-2-methylpropanoate

ChemBase ID: 173431
Molecular Formular: C11H24O3Si
Molecular Mass: 232.39196
Monoisotopic Mass: 232.14947116
SMILES and InChIs

SMILES:
[C@@H](C(=O)OC)(C)CO[Si](C(C)(C)C)(C)C
Canonical SMILES:
COC(=O)[C@@H](CO[Si](C(C)(C)C)(C)C)C
InChI:
InChI=1S/C11H24O3Si/c1-9(10(12)13-5)8-14-15(6,7)11(2,3)4/h9H,8H2,1-7H3/t9-/m1/s1
InChIKey:
GDTYFCRFIVSEIF-SECBINFHSA-N

Cite this record

CBID:173431 http://www.chembase.cn/molecule-173431.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl (2R)-3-[(tert-butyldimethylsilyl)oxy]-2-methylpropanoate
IUPAC Traditional name
methyl (2R)-3-[(tert-butyldimethylsilyl)oxy]-2-methylpropanoate
Synonyms
(R)-3-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-2-methyl-propanoic Acid Methyl Ester
(2R)-Methyl 3-{[tert-Butyldimethylsilyl)oxy]}-2-methylpropionate
CAS Number
105859-44-7
PubChem SID
164229341
PubChem CID
11831316

DATA SOURCES

DATA SOURCES

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Data Source Data ID
TRC M294415 external link Add to cart
PubChem 11831316 external link
Data Source Data ID Price
TRC
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Data Source Data ID
PubChem 11831316 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.6154  LogD (pH = 7.4) 2.6154 
Log P 2.6154  Molar Refractivity 58.237 cm3
Polarizability 25.388514 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Ether expand Show data source
Ethyl Acetate expand Show data source
Hexane expand Show data source
Apperance
Colourless Oil expand Show data source
Storage Condition
Refrigerator expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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