tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane

C20H40O2Si2 — CID 15236701

IUPACtert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane
SMILESC#CCC(CC(C=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O2Si2/c1-13-15-18(22-24(11,12)20(6,7)8)16-17(14-2)21-23(9,10)19(3,4)5/h1,14,17-18H,2,15-16H2,3-12H3
InChIKeyYWXRFHFTKNUFLE-UHFFFAOYSA-N
MW368.71 g/mol
LogP6.37
Rot. Bonds8

About tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane

tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane (PubChem CID 15236701) has the molecular formula C20H40O2Si2 and a molecular weight of 368.71 g/mol. Its IUPAC name is tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane
PubChem CID15236701
Molecular FormulaC20H40O2Si2
Molecular Weight368.71 g/mol
Exact Mass368.26
IUPAC Nametert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane
SMILESC#CCC(CC(C=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H40O2Si2/c1-13-15-18(22-24(11,12)20(6,7)8)16-17(14-2)21-23(9,10)19(3,4)5/h1,14,17-18H,2,15-16H2,3-12H3
InChIKeyYWXRFHFTKNUFLE-UHFFFAOYSA-N
XLogP6.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.71
LogP ≤ 56.37
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-[3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane (CID 15236701) is tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane is C#CCC(CC(C=C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane?
The InChIKey is YWXRFHFTKNUFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40O2Si2/c1-13-15-18(22-24(11,12)20(6,7)8)16-17(14-2)21-23(9,10)19(3,4)5/h1,14,17-18H,2,15-16H2,3-12H3.
What are the key properties of tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane?
tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane has a molecular weight of 368.71 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxy-1-ethenylhex-5-ynoxy]-dimethylsilane is sourced from PubChem (CID 15236701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).