2-bicyclo[2.2.1]hept-4-enyl(triethoxy)silane;palladium

C13H24O3PdSi — CID 174442152

IUPAC2-bicyclo[2.2.1]hept-4-enyl(triethoxy)silane;palladium
SMILESCCO[Si](OCC)(OCC)C1CC2=CCC1C2.[Pd]
InChIInChI=1S/C13H24O3Si.Pd/c1-4-14-17(15-5-2,16-6-3)13-10-11-7-8-12(13)9-11;/h7,12-13H,4-6,8-10H2,1-3H3;
InChIKeyOAHKKLUIZKFYGK-UHFFFAOYSA-N
MW362.84 g/mol
LogP3.14
Rot. Bonds7

About 2-bicyclo[2.2.1]hept-4-enyl(triethoxy)silane;palladium

2-bicyclo[2.2.1]hept-4-enyl(triethoxy)silane;palladium (PubChem CID 174442152) has the molecular formula C13H24O3PdSi and a molecular weight of 362.84 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-4-enyl(triethoxy)silane;palladium.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-4-enyl(triethoxy)silane;palladium
PubChem CID174442152
Molecular FormulaC13H24O3PdSi
Molecular Weight362.84 g/mol
Exact Mass362.05
IUPAC Name2-bicyclo[2.2.1]hept-4-enyl(triethoxy)silane;palladium
SMILESCCO[Si](OCC)(OCC)C1CC2=CCC1C2.[Pd]
InChIInChI=1S/C13H24O3Si.Pd/c1-4-14-17(15-5-2,16-6-3)13-10-11-7-8-12(13)9-11;/h7,12-13H,4-6,8-10H2,1-3H3;
InChIKeyOAHKKLUIZKFYGK-UHFFFAOYSA-N
XLogP3.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.84
LogP ≤ 53.14
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 2-bicyclo[2.2.1]hept-4-enyl(triethoxy)silane;palladium?
The IUPAC name of 2-bicyclo[2.2.1]hept-4-enyl(triethoxy)silane;palladium (CID 174442152) is 2-bicyclo[2.2.1]hept-4-enyl(triethoxy)silane;palladium.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-4-enyl(triethoxy)silane;palladium?
The canonical SMILES for 2-bicyclo[2.2.1]hept-4-enyl(triethoxy)silane;palladium is CCO[Si](OCC)(OCC)C1CC2=CCC1C2.[Pd].
What is the InChIKey of 2-bicyclo[2.2.1]hept-4-enyl(triethoxy)silane;palladium?
The InChIKey is OAHKKLUIZKFYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O3Si.Pd/c1-4-14-17(15-5-2,16-6-3)13-10-11-7-8-12(13)9-11;/h7,12-13H,4-6,8-10H2,1-3H3;.
What are the key properties of 2-bicyclo[2.2.1]hept-4-enyl(triethoxy)silane;palladium?
2-bicyclo[2.2.1]hept-4-enyl(triethoxy)silane;palladium has a molecular weight of 362.84 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-4-enyl(triethoxy)silane;palladium is sourced from PubChem (CID 174442152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).