tert-butyl-(4-ethynyl-4-trimethylsilyloxycyclohexyl)oxy-dimethylsilane

C17H34O2Si2 — CID 59293783

IUPACtert-butyl-(4-ethynyl-4-trimethylsilyloxycyclohexyl)oxy-dimethylsilane
SMILESC#CC1(O[Si](C)(C)C)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H34O2Si2/c1-10-17(19-20(5,6)7)13-11-15(12-14-17)18-21(8,9)16(2,3)4/h1,15H,11-14H2,2-9H3
InChIKeyRVGAIVHTYIUBLF-UHFFFAOYSA-N
MW326.63 g/mol
LogP5.17
Rot. Bonds4

About tert-butyl-(4-ethynyl-4-trimethylsilyloxycyclohexyl)oxy-dimethylsilane

tert-butyl-(4-ethynyl-4-trimethylsilyloxycyclohexyl)oxy-dimethylsilane (PubChem CID 59293783) has the molecular formula C17H34O2Si2 and a molecular weight of 326.63 g/mol. Its IUPAC name is tert-butyl-(4-ethynyl-4-trimethylsilyloxycyclohexyl)oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-(4-ethynyl-4-trimethylsilyloxycyclohexyl)oxy-dimethylsilane
PubChem CID59293783
Molecular FormulaC17H34O2Si2
Molecular Weight326.63 g/mol
Exact Mass326.21
IUPAC Nametert-butyl-(4-ethynyl-4-trimethylsilyloxycyclohexyl)oxy-dimethylsilane
SMILESC#CC1(O[Si](C)(C)C)CCC(O[Si](C)(C)C(C)(C)C)CC1
InChIInChI=1S/C17H34O2Si2/c1-10-17(19-20(5,6)7)13-11-15(12-14-17)18-21(8,9)16(2,3)4/h1,15H,11-14H2,2-9H3
InChIKeyRVGAIVHTYIUBLF-UHFFFAOYSA-N
XLogP5.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.63
LogP ≤ 55.17
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-(4-ethynyl-4-trimethylsilyloxycyclohexyl)oxy-dimethylsilane?
The IUPAC name of tert-butyl-(4-ethynyl-4-trimethylsilyloxycyclohexyl)oxy-dimethylsilane (CID 59293783) is tert-butyl-(4-ethynyl-4-trimethylsilyloxycyclohexyl)oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-(4-ethynyl-4-trimethylsilyloxycyclohexyl)oxy-dimethylsilane?
The canonical SMILES for tert-butyl-(4-ethynyl-4-trimethylsilyloxycyclohexyl)oxy-dimethylsilane is C#CC1(O[Si](C)(C)C)CCC(O[Si](C)(C)C(C)(C)C)CC1.
What is the InChIKey of tert-butyl-(4-ethynyl-4-trimethylsilyloxycyclohexyl)oxy-dimethylsilane?
The InChIKey is RVGAIVHTYIUBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O2Si2/c1-10-17(19-20(5,6)7)13-11-15(12-14-17)18-21(8,9)16(2,3)4/h1,15H,11-14H2,2-9H3.
What are the key properties of tert-butyl-(4-ethynyl-4-trimethylsilyloxycyclohexyl)oxy-dimethylsilane?
tert-butyl-(4-ethynyl-4-trimethylsilyloxycyclohexyl)oxy-dimethylsilane has a molecular weight of 326.63 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(4-ethynyl-4-trimethylsilyloxycyclohexyl)oxy-dimethylsilane is sourced from PubChem (CID 59293783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).