tert-Butyl(3-chloropropoxy)dimethylsilane

C9H21ClOSiCAS 89031-82-3208.80 g/mol

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SiOCl
Alkyl halideSilyl ether

Properties

Molecular formula
C9H21ClOSi
Molar mass
208.80 g/mol
Exact mass
208.1050 Da
logP
3.64Crippen estimate
Polar surface area
9.2 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

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
89031-82-3
SMILES
CC(C)(C)[Si](C)(C)OCCCCl
InChIKey
LROUBCOBLAPPAT-UHFFFAOYSA-N
InChI
InChI=1S/C9H21ClOSi/c1-9(2,3)12(4,5)11-8-6-7-10/h6-8H2,1-5H3
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 3.60 (t, J = 7.0 Hz, 2H), 3.53 (t, J = 7.0 Hz, 2H), 2.20 (quint, J = 7.0 Hz, 2H), 0.81 (s, 9H), 0.00 (s, 6H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 60.1, 41.0, 36.0, 24.2, 22.8, 0.0.
[M + H]+
[M + H]+ Calcd for C9H22ClOSi 209.1123
[M + Na]+
[M + Na]+ Calcd for C9H21ClNaOSi 231.0942
[M − H]−
[M − H]− Calcd for C9H20ClOSi 207.0977
Elemental analysis
Anal. Calcd for C9H21ClOSi: C, 51.77; H, 10.14.

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Names and synonyms

6 names
  • (3-Chloropropoxy)(1,1-dimethylethyl)dimethylsilane
  • Silane, (3-chloropropoxy)(1,1-dimethylethyl)dimethyl-
  • tert-Butyl-(3-chloropropoxy)dimethylsilane
  • 1-(tert-Butyldimethylsilyloxy)-3-chloropropane
  • 3-(tert-Butyldimethylsiloxy)-1-chloropropane
  • 3-(tert-Butyldimethylsilyloxy)-1-chloropropane

Work with tert-Butyl(3-chloropropoxy)dimethylsilane

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

3-[(tert-Butyldimethylsilyl)oxy]propan-1-ol73842-99-660 % similar (3-Bromopropoxy)(tert-butyl)dimethylsilane89031-84-560 % similar tert-Butyl-(2-iodo-ethoxy)-dimethyl-silane101166-65-855 % similar 2-(tert-Butyldimethylsilyloxy)ethanamine101711-55-153 % similar 2-(tert-Butyl(dimethyl)silyl)oxyethanol102229-10-753 % similar (2-Bromoethoxy)-tert-butyldimethylsilane86864-60-053 % similar 4-(T-Butyldimethylsiloxy)butyne78592-82-248 % similar 2-((tert-Butyldimethylsilyl)oxy)acetaldehyde102191-92-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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