2-bicyclo[2.2.1]hept-5-enyl-diphenyl-propylsilane

C22H26Si — CID 23499934

IUPAC2-bicyclo[2.2.1]hept-5-enyl-diphenyl-propylsilane
SMILESCCC[Si](c1ccccc1)(c1ccccc1)C1CC2C=CC1C2
InChIInChI=1S/C22H26Si/c1-2-15-23(20-9-5-3-6-10-20,21-11-7-4-8-12-21)22-17-18-13-14-19(22)16-18/h3-14,18-19,22H,2,15-17H2,1H3
InChIKeyGNJIQPLBHVJVHP-UHFFFAOYSA-N
MW318.54 g/mol
LogP4.63
Rot. Bonds5

About 2-bicyclo[2.2.1]hept-5-enyl-diphenyl-propylsilane

2-bicyclo[2.2.1]hept-5-enyl-diphenyl-propylsilane (PubChem CID 23499934) has the molecular formula C22H26Si and a molecular weight of 318.54 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl-diphenyl-propylsilane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl-diphenyl-propylsilane
PubChem CID23499934
Molecular FormulaC22H26Si
Molecular Weight318.54 g/mol
Exact Mass318.18
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl-diphenyl-propylsilane
SMILESCCC[Si](c1ccccc1)(c1ccccc1)C1CC2C=CC1C2
InChIInChI=1S/C22H26Si/c1-2-15-23(20-9-5-3-6-10-20,21-11-7-4-8-12-21)22-17-18-13-14-19(22)16-18/h3-14,18-19,22H,2,15-17H2,1H3
InChIKeyGNJIQPLBHVJVHP-UHFFFAOYSA-N
XLogP4.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.54
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-5-enyl-diphenyl-propylsilane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-diphenyl-propylsilane (CID 23499934) is 2-bicyclo[2.2.1]hept-5-enyl-diphenyl-propylsilane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl-diphenyl-propylsilane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl-diphenyl-propylsilane is CCC[Si](c1ccccc1)(c1ccccc1)C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl-diphenyl-propylsilane?
The InChIKey is GNJIQPLBHVJVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Si/c1-2-15-23(20-9-5-3-6-10-20,21-11-7-4-8-12-21)22-17-18-13-14-19(22)16-18/h3-14,18-19,22H,2,15-17H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl-diphenyl-propylsilane?
2-bicyclo[2.2.1]hept-5-enyl-diphenyl-propylsilane has a molecular weight of 318.54 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl-diphenyl-propylsilane is sourced from PubChem (CID 23499934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).