chempirical

(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. Search the SDS library

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

Weigh it out

Type any one amount. The others follow from the molar mass.

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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