(3S)-4-Chloro-3-[(trimethylsilyl)oxy]butanenitrile

C7H14ClNOSiCAS 727382-14-1191.73 g/mol

Open in Covalent MOL file
SiONCl
Alkyl halideNitrileSilyl ether

Properties

Molecular formula
C7H14ClNOSi
Molar mass
191.73 g/mol
Exact mass
191.0533 Da
logP
2.36Crippen estimate
Polar surface area
33.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
727382-14-1
SMILES
C[Si](C)(C)O[C@@H](CC#N)CCl
InChIKey
FLYSOKSACGLOAO-ZETCQYMHSA-N
InChI
InChI=1S/C7H14ClNOSi/c1-11(2,3)10-7(6-8)4-5-9/h7H,4,6H2,1-3H3/t7-/m0/s1

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Work with (3S)-4-Chloro-3-[(trimethylsilyl)oxy]butanenitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(S)-4-Chloro-3-hydroxybutyronitrile127913-44-439 % similar (3R)-4-Chloro-3-hydroxybutanenitrile84367-31-739 % similar 3,3-Diethoxypropiononitrile2032-34-035 % similar 3,3-Dimethoxypropionitrile57597-62-333 % similar Isovaleronitrile625-28-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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