tert-butyl-dimethyl-(8-oxabicyclo[3.2.1]oct-6-en-3-yloxy)silane

C13H24O2Si — CID 68631183

IUPACtert-butyl-dimethyl-(8-oxabicyclo[3.2.1]oct-6-en-3-yloxy)silane
SMILESCC(C)(C)[Si](C)(C)OC1CC2C=CC(C1)O2
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-8-10-6-7-11(9-12)14-10/h6-7,10-12H,8-9H2,1-5H3
InChIKeyXOYBJEYPRHFGOA-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.49
Rot. Bonds2

About tert-butyl-dimethyl-(8-oxabicyclo[3.2.1]oct-6-en-3-yloxy)silane

tert-butyl-dimethyl-(8-oxabicyclo[3.2.1]oct-6-en-3-yloxy)silane (PubChem CID 68631183) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-(8-oxabicyclo[3.2.1]oct-6-en-3-yloxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(8-oxabicyclo[3.2.1]oct-6-en-3-yloxy)silane
PubChem CID68631183
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Nametert-butyl-dimethyl-(8-oxabicyclo[3.2.1]oct-6-en-3-yloxy)silane
SMILESCC(C)(C)[Si](C)(C)OC1CC2C=CC(C1)O2
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-8-10-6-7-11(9-12)14-10/h6-7,10-12H,8-9H2,1-5H3
InChIKeyXOYBJEYPRHFGOA-UHFFFAOYSA-N
XLogP3.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.49
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'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(8-oxabicyclo[3.2.1]oct-6-en-3-yloxy)silane?
The IUPAC name of tert-butyl-dimethyl-(8-oxabicyclo[3.2.1]oct-6-en-3-yloxy)silane (CID 68631183) is tert-butyl-dimethyl-(8-oxabicyclo[3.2.1]oct-6-en-3-yloxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(8-oxabicyclo[3.2.1]oct-6-en-3-yloxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(8-oxabicyclo[3.2.1]oct-6-en-3-yloxy)silane is CC(C)(C)[Si](C)(C)OC1CC2C=CC(C1)O2.
What is the InChIKey of tert-butyl-dimethyl-(8-oxabicyclo[3.2.1]oct-6-en-3-yloxy)silane?
The InChIKey is XOYBJEYPRHFGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)15-12-8-10-6-7-11(9-12)14-10/h6-7,10-12H,8-9H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(8-oxabicyclo[3.2.1]oct-6-en-3-yloxy)silane?
tert-butyl-dimethyl-(8-oxabicyclo[3.2.1]oct-6-en-3-yloxy)silane has a molecular weight of 240.42 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(8-oxabicyclo[3.2.1]oct-6-en-3-yloxy)silane is sourced from PubChem (CID 68631183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).