tert-butyl-dimethyl-(3-triethoxysilylbut-3-enoxy)silane

C16H36O4Si2 — CID 11268082

IUPACtert-butyl-dimethyl-(3-triethoxysilylbut-3-enoxy)silane
SMILESC=C(CCO[Si](C)(C)C(C)(C)C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C16H36O4Si2/c1-10-17-22(18-11-2,19-12-3)15(4)13-14-20-21(8,9)16(5,6)7/h4,10-14H2,1-3,5-9H3
InChIKeyLOOKIPQBKQAUSS-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.54
Rot. Bonds11

About tert-butyl-dimethyl-(3-triethoxysilylbut-3-enoxy)silane

tert-butyl-dimethyl-(3-triethoxysilylbut-3-enoxy)silane (PubChem CID 11268082) has the molecular formula C16H36O4Si2 and a molecular weight of 348.63 g/mol. Its IUPAC name is tert-butyl-dimethyl-(3-triethoxysilylbut-3-enoxy)silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-(3-triethoxysilylbut-3-enoxy)silane
PubChem CID11268082
Molecular FormulaC16H36O4Si2
Molecular Weight348.63 g/mol
Exact Mass348.22
IUPAC Nametert-butyl-dimethyl-(3-triethoxysilylbut-3-enoxy)silane
SMILESC=C(CCO[Si](C)(C)C(C)(C)C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C16H36O4Si2/c1-10-17-22(18-11-2,19-12-3)15(4)13-14-20-21(8,9)16(5,6)7/h4,10-14H2,1-3,5-9H3
InChIKeyLOOKIPQBKQAUSS-UHFFFAOYSA-N
XLogP4.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-(3-triethoxysilylbut-3-enoxy)silane?
The IUPAC name of tert-butyl-dimethyl-(3-triethoxysilylbut-3-enoxy)silane (CID 11268082) is tert-butyl-dimethyl-(3-triethoxysilylbut-3-enoxy)silane.
What is the SMILES notation for tert-butyl-dimethyl-(3-triethoxysilylbut-3-enoxy)silane?
The canonical SMILES for tert-butyl-dimethyl-(3-triethoxysilylbut-3-enoxy)silane is C=C(CCO[Si](C)(C)C(C)(C)C)[Si](OCC)(OCC)OCC.
What is the InChIKey of tert-butyl-dimethyl-(3-triethoxysilylbut-3-enoxy)silane?
The InChIKey is LOOKIPQBKQAUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36O4Si2/c1-10-17-22(18-11-2,19-12-3)15(4)13-14-20-21(8,9)16(5,6)7/h4,10-14H2,1-3,5-9H3.
What are the key properties of tert-butyl-dimethyl-(3-triethoxysilylbut-3-enoxy)silane?
tert-butyl-dimethyl-(3-triethoxysilylbut-3-enoxy)silane has a molecular weight of 348.63 g/mol, XLogP of 4.54, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-(3-triethoxysilylbut-3-enoxy)silane is sourced from PubChem (CID 11268082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).