Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-yl]oxy-dimethylsilane

C21H42O2Si2 — CID 60015086

IUPACtert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(C=C)C(C)(C)C(C#C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O2Si2/c1-15-17(22-24(11,12)19(3,4)5)21(9,10)18(16-2)23-25(13,14)20(6,7)8/h1,16-18H,2H2,3-14H3
InChIKeyKMAQFFOXALNECT-UHFFFAOYSA-N
MW382.70 g/mol
LogP—
Rot. Bonds9

About Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-yl]oxy-dimethylsilane

Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-yl]oxy-dimethylsilane (PubChem CID 60015086) has the molecular formula C21H42O2Si2 and a molecular weight of 382.70 g/mol. Its IUPAC name is tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-yl]oxy-dimethylsilane.

Molecular Properties

Compound NameTert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-yl]oxy-dimethylsilane
PubChem CID60015086
Molecular FormulaC21H42O2Si2
Molecular Weight382.70 g/mol
Exact Mass382.27
IUPAC Nametert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-yl]oxy-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC(C=C)C(C)(C)C(C#C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H42O2Si2/c1-15-17(22-24(11,12)19(3,4)5)21(9,10)18(16-2)23-25(13,14)20(6,7)8/h1,16-18H,2H2,3-14H3
InChIKeyKMAQFFOXALNECT-UHFFFAOYSA-N
XLogP—
TPSA18.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity510

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-yl]oxy-dimethylsilane?
The IUPAC name of Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-yl]oxy-dimethylsilane (CID 60015086) is tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-yl]oxy-dimethylsilane.
What is the SMILES notation for Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-yl]oxy-dimethylsilane?
The canonical SMILES for Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-yl]oxy-dimethylsilane is CC(C)(C)[Si](C)(C)OC(C=C)C(C)(C)C(C#C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-yl]oxy-dimethylsilane?
The InChIKey is KMAQFFOXALNECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42O2Si2/c1-15-17(22-24(11,12)19(3,4)5)21(9,10)18(16-2)23-25(13,14)20(6,7)8/h1,16-18H,2H2,3-14H3.
What are the key properties of Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-yl]oxy-dimethylsilane?
Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-yl]oxy-dimethylsilane has a molecular weight of 382.70 g/mol, XLogP of not available, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxy-4,4-dimethylhept-1-en-6-yn-3-yl]oxy-dimethylsilane is sourced from PubChem (CID 60015086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).