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883726-88-3 molecular structure
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2,3-dimethyl-2-[(trimethylsilyl)oxy]butanenitrile

ChemBase ID: 65908
Molecular Formular: C9H19NOSi
Molecular Mass: 185.33876
Monoisotopic Mass: 185.12359077
SMILES and InChIs

SMILES:
O(C(C#N)(C)C(C)C)[Si](C)(C)C
Canonical SMILES:
N#CC(C(C)C)(O[Si](C)(C)C)C
InChI:
InChI=1S/C9H19NOSi/c1-8(2)9(3,7-10)11-12(4,5)6/h8H,1-6H3
InChIKey:
SFFRRJOBHYONKP-UHFFFAOYSA-N

Cite this record

CBID:65908 http://www.chembase.cn/molecule-65908.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,3-dimethyl-2-[(trimethylsilyl)oxy]butanenitrile
IUPAC Traditional name
2,3-dimethyl-2-[(trimethylsilyl)oxy]butanenitrile
Synonyms
2,3-Dimethyl-2-(trimethylsilyloxy)butanenitrile
CAS Number
883726-88-3
MDL Number
MFCD16786524
PubChem SID
162031647
PubChem CID
62551093

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 62551093 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.5608  LogD (pH = 7.4) 2.5608 
Log P 2.5608  Molar Refractivity 47.6539 cm3
Polarizability 20.772526 Å3 Polar Surface Area 33.02 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
TSCA Listed
false expand Show data source
Purity
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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