tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane

C13H24O2Si — CID 12002929

IUPACtert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCC1=CCCC2OC12
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)14-9-10-7-6-8-11-12(10)15-11/h7,11-12H,6,8-9H2,1-5H3
InChIKeyJKCJWLOIHOWFLN-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.50
Rot. Bonds3

About tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane

tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane (PubChem CID 12002929) has the molecular formula C13H24O2Si and a molecular weight of 240.42 g/mol. Its IUPAC name is tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane
PubChem CID12002929
Molecular FormulaC13H24O2Si
Molecular Weight240.42 g/mol
Exact Mass240.15
IUPAC Nametert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane
SMILESCC(C)(C)[Si](C)(C)OCC1=CCCC2OC12
InChIInChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)14-9-10-7-6-8-11-12(10)15-11/h7,11-12H,6,8-9H2,1-5H3
InChIKeyJKCJWLOIHOWFLN-UHFFFAOYSA-N
XLogP3.50
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.50
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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane (CID 12002929) is tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane is CC(C)(C)[Si](C)(C)OCC1=CCCC2OC12.
What is the InChIKey of tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane?
The InChIKey is JKCJWLOIHOWFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si/c1-13(2,3)16(4,5)14-9-10-7-6-8-11-12(10)15-11/h7,11-12H,6,8-9H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane?
tert-butyl-dimethyl-(7-oxabicyclo[4.1.0]hept-2-en-2-ylmethoxy)silane has a molecular weight of 240.42 g/mol, XLogP of 3.50, 3 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]hept-2-en-2-ylmethoxy)silane is sourced from PubChem (CID 12002929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).