3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol

C9H22O2Si — CID 71777166

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol
SMILES[2H]C([2H])(O)C([2H])([2H])C([2H])([2H])O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H22O2Si/c1-9(2,3)12(4,5)11-8-6-7-10/h10H,6-8H2,1-5H3/i6D2,7D2,8D2
InChIKeyNETUFVYVNJNFMU-JEKPXRCASA-N
MW196.40 g/mol
LogP2.39
Rot. Bonds4

About 3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol

3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol (PubChem CID 71777166) has the molecular formula C9H22O2Si and a molecular weight of 196.40 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol
PubChem CID71777166
Molecular FormulaC9H22O2Si
Molecular Weight196.40 g/mol
Exact Mass196.18
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol
SMILES[2H]C([2H])(O)C([2H])([2H])C([2H])([2H])O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C9H22O2Si/c1-9(2,3)12(4,5)11-8-6-7-10/h10H,6-8H2,1-5H3/i6D2,7D2,8D2
InChIKeyNETUFVYVNJNFMU-JEKPXRCASA-N
XLogP2.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

10-[tert-butyl(dimethyl)silyl]oxy-1,1-dideuteriodecan-1-ol
CID 102212924
4-[tert-butyl(dimethyl)silyl]oxybutan-1-ol
CID 135430450
[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol
CID 59000904
tert-butyl-[tert-butyl(dimethyl)silyl]oxy-dimethylsilane;but-2-yne-1,4-diol
CID 86745388
tert-butyl-dimethyl-(3,3,4,4-tetradeuteriononoxy)silane
CID 10753997
tert-butyl-chloro-dimethylsilane;[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]methanol;[1-(hydroxymethyl)cyclopropyl]methanol
CID 158962820
22-[tert-butyl(dimethyl)silyl]oxydocosan-1-ol
CID 15229755
8-[tert-butyl(dimethyl)silyl]oxyoctan-1-ol
CID 11043515
tert-butyl-(chloromethoxy)-dimethylsilane
CID 14145745
(2S)-2-amino-3-[tert-butyl(dimethyl)silyl]oxypropan-1-ol
CID 101238862
1-[tert-butyl(dimethyl)silyl]oxy-2-methylbut-3-yn-2-ol
CID 11095976
1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclobutan-1-ol
CID 70362766

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol (CID 71777166) is 3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol is [2H]C([2H])(O)C([2H])([2H])C([2H])([2H])O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol?
The InChIKey is NETUFVYVNJNFMU-JEKPXRCASA-N. The full InChI is InChI=1S/C9H22O2Si/c1-9(2,3)12(4,5)11-8-6-7-10/h10H,6-8H2,1-5H3/i6D2,7D2,8D2.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol?
3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol has a molecular weight of 196.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-1,1,2,2,3,3-hexadeuteriopropan-1-ol is sourced from PubChem (CID 71777166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).