tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane

C12H24O2Si — CID 102386072

IUPACtert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane
SMILESCC(C)(C)[Si](C)(C)OC12CCCCC1O2
InChIInChI=1S/C12H24O2Si/c1-11(2,3)15(4,5)14-12-9-7-6-8-10(12)13-12/h10H,6-9H2,1-5H3
InChIKeyTWVGLBFUEIZNJO-UHFFFAOYSA-N
MW228.41 g/mol
LogP3.68
Rot. Bonds2

About tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane

tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane (PubChem CID 102386072) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane
PubChem CID102386072
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nametert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane
SMILESCC(C)(C)[Si](C)(C)OC12CCCCC1O2
InChIInChI=1S/C12H24O2Si/c1-11(2,3)15(4,5)14-12-9-7-6-8-10(12)13-12/h10H,6-9H2,1-5H3
InChIKeyTWVGLBFUEIZNJO-UHFFFAOYSA-N
XLogP3.68
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(1R,6R)-7-oxabicyclo[4.1.0]heptan-1-yl] 2,2-dimethylpropanoate
CID 11138075
1-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclohexan-1-ol
CID 67592724
7-oxabicyclo[4.1.0]heptan-1-yl acetate
CID 539060
tert-butyl-[[(1S,6S,7S)-7-deuterio-1-bicyclo[4.1.0]heptanyl]oxy]-dimethylsilane
CID 10846938
1-propoxy-7-oxabicyclo[4.1.0]heptane
CID 54126480
1-(7-oxabicyclo[4.1.0]heptan-1-yloxy)-7-oxabicyclo[4.1.0]heptane;trimethoxysilane
CID 173448734
1-tert-butyl-13-oxabicyclo[10.1.0]tridecane
CID 139970626
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
tert-butyl-dimethyl-[[(1S,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane
CID 88548685
tert-butyl-dimethyl-[[(1R,2R,6R)-2-methyl-7-oxabicyclo[4.1.0]heptan-2-yl]oxy]silane
CID 86667431
tert-butyl-dimethyl-(1-methyl-4-propan-2-ylcyclohexyl)oxysilane
CID 22447738
methyl (4R,4aS,8aR)-8a-[tert-butyl(dimethyl)silyl]oxy-4-phenyl-4,4a,5,6,7,8-hexahydrochromene-2-carboxylate
CID 10916444

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane (CID 102386072) is tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane is CC(C)(C)[Si](C)(C)OC12CCCCC1O2.
What is the InChIKey of tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane?
The InChIKey is TWVGLBFUEIZNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-11(2,3)15(4,5)14-12-9-7-6-8-10(12)13-12/h10H,6-9H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane?
tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane has a molecular weight of 228.41 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]heptan-1-yloxy)silane is sourced from PubChem (CID 102386072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).