1-bicyclo[2.2.1]hept-2-enylmethyl(triethoxy)silane

C14H26O3Si — CID 19993807

IUPAC1-bicyclo[2.2.1]hept-2-enylmethyl(triethoxy)silane
SMILESCCO[Si](CC12C=CC(CC1)C2)(OCC)OCC
InChIInChI=1S/C14H26O3Si/c1-4-15-18(16-5-2,17-6-3)12-14-9-7-13(11-14)8-10-14/h7,9,13H,4-6,8,10-12H2,1-3H3
InChIKeyGZBWKXRZLCLZQW-UHFFFAOYSA-N
MW270.44 g/mol
LogP3.39
Rot. Bonds8

About 1-bicyclo[2.2.1]hept-2-enylmethyl(triethoxy)silane

1-bicyclo[2.2.1]hept-2-enylmethyl(triethoxy)silane (PubChem CID 19993807) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]hept-2-enylmethyl(triethoxy)silane.

Molecular Properties

Compound Name1-bicyclo[2.2.1]hept-2-enylmethyl(triethoxy)silane
PubChem CID19993807
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name1-bicyclo[2.2.1]hept-2-enylmethyl(triethoxy)silane
SMILESCCO[Si](CC12C=CC(CC1)C2)(OCC)OCC
InChIInChI=1S/C14H26O3Si/c1-4-15-18(16-5-2,17-6-3)12-14-9-7-13(11-14)8-10-14/h7,9,13H,4-6,8,10-12H2,1-3H3
InChIKeyGZBWKXRZLCLZQW-UHFFFAOYSA-N
XLogP3.39
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 53.39
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-enylmethyl(triethoxy)silane?
The IUPAC name of 1-bicyclo[2.2.1]hept-2-enylmethyl(triethoxy)silane (CID 19993807) is 1-bicyclo[2.2.1]hept-2-enylmethyl(triethoxy)silane.
What is the SMILES notation for 1-bicyclo[2.2.1]hept-2-enylmethyl(triethoxy)silane?
The canonical SMILES for 1-bicyclo[2.2.1]hept-2-enylmethyl(triethoxy)silane is CCO[Si](CC12C=CC(CC1)C2)(OCC)OCC.
What is the InChIKey of 1-bicyclo[2.2.1]hept-2-enylmethyl(triethoxy)silane?
The InChIKey is GZBWKXRZLCLZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-4-15-18(16-5-2,17-6-3)12-14-9-7-13(11-14)8-10-14/h7,9,13H,4-6,8,10-12H2,1-3H3.
What are the key properties of 1-bicyclo[2.2.1]hept-2-enylmethyl(triethoxy)silane?
1-bicyclo[2.2.1]hept-2-enylmethyl(triethoxy)silane has a molecular weight of 270.44 g/mol, XLogP of 3.39, 8 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-enylmethyl(triethoxy)silane is sourced from PubChem (CID 19993807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).