tert-butyl-dimethyl-[1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-yl]oxysilane;1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-ol

C20H38O2Si — CID 165029410

IUPACtert-butyl-dimethyl-[1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-yl]oxysilane;1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-ol
SMILES[2H]C([2H])([2H])C(CCC#C)(O[Si](C)(C)C(C)(C)C)C([2H])([2H])[2H].[2H]C([2H])([2H])C(O)(CCC#C)C([2H])([2H])[2H]
InChIInChI=1S/C13H26OSi.C7H12O/c1-9-10-11-13(5,6)14-15(7,8)12(2,3)4;1-4-5-6-7(2,3)8/h1H,10-11H2,2-8H3;1,8H,5-6H2,2-3H3/i5D3,6D3;2D3,3D3
InChIKeyMKHASBFSJBABOF-JZCRISFGSA-N
MW350.68 g/mol
LogP5.37
Rot. Bonds10

About tert-butyl-dimethyl-[1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-yl]oxysilane;1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-ol

tert-butyl-dimethyl-[1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-yl]oxysilane;1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-ol (PubChem CID 165029410) has the molecular formula C20H38O2Si and a molecular weight of 350.68 g/mol. Its IUPAC name is tert-butyl-dimethyl-[1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-yl]oxysilane;1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-ol.

Molecular Properties

Compound Nametert-butyl-dimethyl-[1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-yl]oxysilane;1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-ol
PubChem CID165029410
Molecular FormulaC20H38O2Si
Molecular Weight350.68 g/mol
Exact Mass350.34
IUPAC Nametert-butyl-dimethyl-[1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-yl]oxysilane;1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-ol
SMILES[2H]C([2H])([2H])C(CCC#C)(O[Si](C)(C)C(C)(C)C)C([2H])([2H])[2H].[2H]C([2H])([2H])C(O)(CCC#C)C([2H])([2H])[2H]
InChIInChI=1S/C13H26OSi.C7H12O/c1-9-10-11-13(5,6)14-15(7,8)12(2,3)4;1-4-5-6-7(2,3)8/h1H,10-11H2,2-8H3;1,8H,5-6H2,2-3H3/i5D3,6D3;2D3,3D3
InChIKeyMKHASBFSJBABOF-JZCRISFGSA-N
XLogP5.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.68
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,7,9-Tetramethyldec-5-yne-4,7-diol, mono-trimethylsilyl ether
CID 91737715
4-(2-Trimethylsilylethynyl)oct-1-yn-4-ol;trimethyl(trimethylsilyloxy)silane
CID 20565068
Bis(3,5-dimethylhex-1-yn-3-yloxy)-dimethylsilane
CID 23450486
[(3R)-3,5-dimethylhex-1-yn-3-yl]oxy-[(3S)-3,5-dimethylhex-1-yn-3-yl]oxy-dimethylsilane
CID 54269959
4-Methyloct-1-yn-4-ol;triethyl(triethylsilyloxy)silane
CID 88799774
1-[Tert-butyl(dimethyl)silyl]oxy-4-propylhept-2-yn-4-ol
CID 123523351
2-Methyl-8-(trimethylsilyl)octa-5,7-diyn-2-ol
CID 125494176
2-Methyl-6-(trimethylsilyl)hex-5-yn-2-ol
CID 125494972
2,4-Dimethyl-6-trimethylsilylhex-5-yne-2,4-diol
CID 150301203
3-Ethylpent-1-yn-3-ol;3-ethyl-1-trimethylsilylpent-1-yn-3-ol
CID 161367017
Tert-butyl-dimethyl-(2-methylhex-5-yn-2-yloxy)silane;2-methylhex-5-yn-2-ol
CID 165029411
5-[Tert-butyl(dimethyl)silyl]oxy-2,6-dimethyl-5-propan-2-ylhept-3-yn-2-ol
CID 53253534

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-yl]oxysilane;1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-ol?
The IUPAC name of tert-butyl-dimethyl-[1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-yl]oxysilane;1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-ol (CID 165029410) is tert-butyl-dimethyl-[1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-yl]oxysilane;1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-ol.
What is the SMILES notation for tert-butyl-dimethyl-[1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-yl]oxysilane;1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-ol?
The canonical SMILES for tert-butyl-dimethyl-[1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-yl]oxysilane;1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-ol is [2H]C([2H])([2H])C(CCC#C)(O[Si](C)(C)C(C)(C)C)C([2H])([2H])[2H].[2H]C([2H])([2H])C(O)(CCC#C)C([2H])([2H])[2H].
What is the InChIKey of tert-butyl-dimethyl-[1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-yl]oxysilane;1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-ol?
The InChIKey is MKHASBFSJBABOF-JZCRISFGSA-N. The full InChI is InChI=1S/C13H26OSi.C7H12O/c1-9-10-11-13(5,6)14-15(7,8)12(2,3)4;1-4-5-6-7(2,3)8/h1H,10-11H2,2-8H3;1,8H,5-6H2,2-3H3/i5D3,6D3;2D3,3D3.
What are the key properties of tert-butyl-dimethyl-[1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-yl]oxysilane;1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-ol?
tert-butyl-dimethyl-[1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-yl]oxysilane;1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-ol has a molecular weight of 350.68 g/mol, XLogP of 5.37, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-yl]oxysilane;1,1,1-trideuterio-2-(trideuteriomethyl)hex-5-yn-2-ol is sourced from PubChem (CID 165029410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).