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218613-98-0 molecular structure
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[(2S)-4-(benzenesulfonyl)-2-methylbutoxy](tert-butyl)dimethylsilane

ChemBase ID: 163367
Molecular Formular: C17H30O3SSi
Molecular Mass: 342.5688
Monoisotopic Mass: 342.16849235
SMILES and InChIs

SMILES:
[Si](OC[C@H](CCS(=O)(=O)c1ccccc1)C)(C(C)(C)C)(C)C
Canonical SMILES:
C[C@H](CO[Si](C(C)(C)C)(C)C)CCS(=O)(=O)c1ccccc1
InChI:
InChI=1S/C17H30O3SSi/c1-15(14-20-22(5,6)17(2,3)4)12-13-21(18,19)16-10-8-7-9-11-16/h7-11,15H,12-14H2,1-6H3/t15-/m0/s1
InChIKey:
NSLQXEKRUVWTFB-HNNXBMFYSA-N

Cite this record

CBID:163367 http://www.chembase.cn/molecule-163367.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
[(2S)-4-(benzenesulfonyl)-2-methylbutoxy](tert-butyl)dimethylsilane
IUPAC Traditional name
[(2S)-4-(benzenesulfonyl)-2-methylbutoxy](tert-butyl)dimethylsilane
Synonyms
(1,1-Dimethylethyl)dimethyl[(2S)-2-methyl-4-(phenylsulfonyl)butoxy]silane
[[(3S)-4-[[(1,1-Dimethylethyl)dimethylsilyl]oxy]-3-methylbutyl]sulfonyl]benzene
(3S)-4-{[tert-Butyl(dimethyl)silyl]oxy}-3-methylbutyl Phenyl Sulfone
CAS Number
218613-98-0
PubChem SID
162257502
PubChem CID
11782846

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC B691510 external link Add to cart
PubChem 11782846 external link
Data Source Data ID Price
TRC
B691510 external link Add to cart Please log in.
Data Source Data ID
PubChem 11782846 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.9694  LogD (pH = 7.4) 3.9694 
Log P 3.9694  Molar Refractivity 90.1006 cm3
Polarizability 38.34359 Å3 Polar Surface Area 43.37 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
Apperance
Clear Colourless Liquid expand Show data source
MSDS Link
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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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