tert-butyl-dimethyl-[(2-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl)oxy]silane

C12H22O2Si — CID 22177672

IUPACtert-butyl-dimethyl-[(2-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl)oxy]silane
SMILESC=C1C(O[Si](C)(C)C(C)(C)C)CC2OC12
InChIInChI=1S/C12H22O2Si/c1-8-9(7-10-11(8)13-10)14-15(5,6)12(2,3)4/h9-11H,1,7H2,2-6H3
InChIKeyXMGWYICSJDTACS-UHFFFAOYSA-N
MW226.39 g/mol
LogP3.10
Rot. Bonds2

About tert-butyl-dimethyl-[(2-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl)oxy]silane

tert-butyl-dimethyl-[(2-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl)oxy]silane (PubChem CID 22177672) has the molecular formula C12H22O2Si and a molecular weight of 226.39 g/mol. Its IUPAC name is tert-butyl-dimethyl-[(2-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl)oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[(2-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl)oxy]silane
PubChem CID22177672
Molecular FormulaC12H22O2Si
Molecular Weight226.39 g/mol
Exact Mass226.14
IUPAC Nametert-butyl-dimethyl-[(2-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl)oxy]silane
SMILESC=C1C(O[Si](C)(C)C(C)(C)C)CC2OC12
InChIInChI=1S/C12H22O2Si/c1-8-9(7-10-11(8)13-10)14-15(5,6)12(2,3)4/h9-11H,1,7H2,2-6H3
InChIKeyXMGWYICSJDTACS-UHFFFAOYSA-N
XLogP3.10
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.39
LogP ≤ 53.10
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[(2-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl)oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[(2-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl)oxy]silane (CID 22177672) is tert-butyl-dimethyl-[(2-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl)oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[(2-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl)oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[(2-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl)oxy]silane is C=C1C(O[Si](C)(C)C(C)(C)C)CC2OC12.
What is the InChIKey of tert-butyl-dimethyl-[(2-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl)oxy]silane?
The InChIKey is XMGWYICSJDTACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O2Si/c1-8-9(7-10-11(8)13-10)14-15(5,6)12(2,3)4/h9-11H,1,7H2,2-6H3.
What are the key properties of tert-butyl-dimethyl-[(2-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl)oxy]silane?
tert-butyl-dimethyl-[(2-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl)oxy]silane has a molecular weight of 226.39 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[(2-methylidene-6-oxabicyclo[3.1.0]hexan-3-yl)oxy]silane is sourced from PubChem (CID 22177672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).