tert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane

C19H36OSi2 — CID 10664651

IUPACtert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane
SMILESCC#CCC(C)(C)C(C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36OSi2/c1-12-13-15-19(5,6)17(14-16-21(7,8)9)20-22(10,11)18(2,3)4/h17H,15H2,1-11H3
InChIKeyZYUOMTHLUDAZMS-UHFFFAOYSA-N
MW336.67 g/mol
LogP5.70
Rot. Bonds4

About tert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane

tert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane (PubChem CID 10664651) has the molecular formula C19H36OSi2 and a molecular weight of 336.67 g/mol. Its IUPAC name is tert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane
PubChem CID10664651
Molecular FormulaC19H36OSi2
Molecular Weight336.67 g/mol
Exact Mass336.23
IUPAC Nametert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane
SMILESCC#CCC(C)(C)C(C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H36OSi2/c1-12-13-15-19(5,6)17(14-16-21(7,8)9)20-22(10,11)18(2,3)4/h17H,15H2,1-11H3
InChIKeyZYUOMTHLUDAZMS-UHFFFAOYSA-N
XLogP5.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.67
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Tert-butyl-(4,4-dimethyl-1-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10567903
Tert-butyl-(4,4-dimethyl-7-trimethylsilylhepta-1,6-diyn-3-yl)oxy-dimethylsilane
CID 10829718
Tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-prop-2-ynylpent-4-ynoxy]-dimethylsilane
CID 11079446
Tert-butyl-dec-5-yn-4-yloxy-dimethylsilane
CID 11821628
Tert-butyl-[[2-[[tert-butyl(dimethyl)silyl]methoxymethyl]-2-but-2-ynylhex-4-ynoxy]methyl]-dimethylsilane
CID 135071571
tert-butyl-dimethyl-[(2R,3S)-3-methyl-7-trimethylsilylhept-6-yn-2-yl]oxysilane
CID 135078090
Tert-butyl-(4,4-dimethyl-1-trimethylsilylnona-1,7-diyn-5-yl)oxy-dimethylsilane
CID 135078902
5,5-dimethyl-1-octyn-4(RS)-ol triethylsilyl ether
CID 21528005
Tert-butyl-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-but-2-ynylhex-4-ynoxy]-dimethylsilane
CID 101218243
(5-Dimethylsilyloxy-6,6-dimethylhept-1-ynyl)-trimethylsilane
CID 173129222
trimethyl-[(4R)-5,5,6,6-tetramethyl-4-silyloxyhept-1-ynyl]silane
CID 173541451
[(2R)-2-[4,4-dimethylhexan-3-yloxy(methyl)silyl]butan-2-yl]-trimethylsilane
CID 173544199

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane (CID 10664651) is tert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane is CC#CCC(C)(C)C(C#C[Si](C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane?
The InChIKey is ZYUOMTHLUDAZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36OSi2/c1-12-13-15-19(5,6)17(14-16-21(7,8)9)20-22(10,11)18(2,3)4/h17H,15H2,1-11H3.
What are the key properties of tert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane?
tert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane has a molecular weight of 336.67 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4,4-dimethyl-1-trimethylsilylocta-1,6-diyn-3-yl)oxy-dimethylsilane is sourced from PubChem (CID 10664651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).