1-bicyclo[2.2.1]hept-2-enyl-tris[[ethenyl(dimethyl)silyl]oxy]silane

C19H36O3Si4 — CID 22325685

IUPAC1-bicyclo[2.2.1]hept-2-enyl-tris[[ethenyl(dimethyl)silyl]oxy]silane
SMILESC=C[Si](C)(C)O[Si](O[Si](C)(C)C=C)(O[Si](C)(C)C=C)C12C=CC(CC1)C2
InChIInChI=1S/C19H36O3Si4/c1-10-23(4,5)20-26(21-24(6,7)11-2,22-25(8,9)12-3)19-15-13-18(17-19)14-16-19/h10-13,15,18H,1-3,14,16-17H2,4-9H3
InChIKeyBEYXWDMEGZOTPC-UHFFFAOYSA-N
MW424.84 g/mol
LogP5.88
Rot. Bonds10

About 1-bicyclo[2.2.1]hept-2-enyl-tris[[ethenyl(dimethyl)silyl]oxy]silane

1-bicyclo[2.2.1]hept-2-enyl-tris[[ethenyl(dimethyl)silyl]oxy]silane (PubChem CID 22325685) has the molecular formula C19H36O3Si4 and a molecular weight of 424.84 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]hept-2-enyl-tris[[ethenyl(dimethyl)silyl]oxy]silane.

Molecular Properties

Compound Name1-bicyclo[2.2.1]hept-2-enyl-tris[[ethenyl(dimethyl)silyl]oxy]silane
PubChem CID22325685
Molecular FormulaC19H36O3Si4
Molecular Weight424.84 g/mol
Exact Mass424.17
IUPAC Name1-bicyclo[2.2.1]hept-2-enyl-tris[[ethenyl(dimethyl)silyl]oxy]silane
SMILESC=C[Si](C)(C)O[Si](O[Si](C)(C)C=C)(O[Si](C)(C)C=C)C12C=CC(CC1)C2
InChIInChI=1S/C19H36O3Si4/c1-10-23(4,5)20-26(21-24(6,7)11-2,22-25(8,9)12-3)19-15-13-18(17-19)14-16-19/h10-13,15,18H,1-3,14,16-17H2,4-9H3
InChIKeyBEYXWDMEGZOTPC-UHFFFAOYSA-N
XLogP5.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.84
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-bicyclo[2.2.1]hept-2-enyl-tris[[ethenyl(dimethyl)silyl]oxy]silane?
The IUPAC name of 1-bicyclo[2.2.1]hept-2-enyl-tris[[ethenyl(dimethyl)silyl]oxy]silane (CID 22325685) is 1-bicyclo[2.2.1]hept-2-enyl-tris[[ethenyl(dimethyl)silyl]oxy]silane.
What is the SMILES notation for 1-bicyclo[2.2.1]hept-2-enyl-tris[[ethenyl(dimethyl)silyl]oxy]silane?
The canonical SMILES for 1-bicyclo[2.2.1]hept-2-enyl-tris[[ethenyl(dimethyl)silyl]oxy]silane is C=C[Si](C)(C)O[Si](O[Si](C)(C)C=C)(O[Si](C)(C)C=C)C12C=CC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]hept-2-enyl-tris[[ethenyl(dimethyl)silyl]oxy]silane?
The InChIKey is BEYXWDMEGZOTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O3Si4/c1-10-23(4,5)20-26(21-24(6,7)11-2,22-25(8,9)12-3)19-15-13-18(17-19)14-16-19/h10-13,15,18H,1-3,14,16-17H2,4-9H3.
What are the key properties of 1-bicyclo[2.2.1]hept-2-enyl-tris[[ethenyl(dimethyl)silyl]oxy]silane?
1-bicyclo[2.2.1]hept-2-enyl-tris[[ethenyl(dimethyl)silyl]oxy]silane has a molecular weight of 424.84 g/mol, XLogP of 5.88, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]hept-2-enyl-tris[[ethenyl(dimethyl)silyl]oxy]silane is sourced from PubChem (CID 22325685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).