tert-Butyldimethylsilanol
Properties
- Molecular formula
- C6H16OSi
- Molar mass
- 132.28 g/mol
- Exact mass
- 132.0970 Da
- logP
- 1.98Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.5% of notifiers
Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
18173-64-3SMILES
CC(C)(C)[Si](C)(C)OInChIKey
FGWRMMTYIZKYMA-UHFFFAOYSA-NInChI
InChI=1S/C6H16OSi/c1-6(2,3)8(4,5)7/h7H,1-5H3Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 2.00 (br s, 1H), 0.81 (s, 9H), 0.00 (s, 6H).¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 24.2, 22.8, 0.0.[M + H]+
[M + H]+ Calcd for C6H17OSi 133.1043[M + Na]+
[M + Na]+ Calcd for C6H16NaOSi 155.0863[M − H]−
[M − H]− Calcd for C6H15OSi 131.0898Elemental analysis
Anal. Calcd for C6H16OSi: C, 54.48; H, 12.19.Weigh it out
Type any one amount. The others follow from the molar mass.
Work with tert-Butyldimethylsilanol
Similar compounds
tert-Butyldimethylsilyl chloride18162-48-633 % similar
tert-Butyltrichlorosilane18171-74-930 % similar
Dichlorobis(1,1-dimethylethyl)silane18395-90-930 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.