2-bicyclo[2.2.1]hept-5-enyl-methyl-diphenoxysilane

C20H22O2Si — CID 66646198

IUPAC2-bicyclo[2.2.1]hept-5-enyl-methyl-diphenoxysilane
SMILESC[Si](Oc1ccccc1)(Oc1ccccc1)C1CC2C=CC1C2
InChIInChI=1S/C20H22O2Si/c1-23(21-18-8-4-2-5-9-18,22-19-10-6-3-7-11-19)20-15-16-12-13-17(20)14-16/h2-13,16-17,20H,14-15H2,1H3
InChIKeyRJGXEYKLYXUQAL-UHFFFAOYSA-N
MW322.48 g/mol
LogP5.18
Rot. Bonds5

About 2-bicyclo[2.2.1]hept-5-enyl-methyl-diphenoxysilane

2-bicyclo[2.2.1]hept-5-enyl-methyl-diphenoxysilane (PubChem CID 66646198) has the molecular formula C20H22O2Si and a molecular weight of 322.48 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl-methyl-diphenoxysilane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl-methyl-diphenoxysilane
PubChem CID66646198
Molecular FormulaC20H22O2Si
Molecular Weight322.48 g/mol
Exact Mass322.14
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl-methyl-diphenoxysilane
SMILESC[Si](Oc1ccccc1)(Oc1ccccc1)C1CC2C=CC1C2
InChIInChI=1S/C20H22O2Si/c1-23(21-18-8-4-2-5-9-18,22-19-10-6-3-7-11-19)20-15-16-12-13-17(20)14-16/h2-13,16-17,20H,14-15H2,1H3
InChIKeyRJGXEYKLYXUQAL-UHFFFAOYSA-N
XLogP5.18
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.48
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-diphenoxysilane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-methyl-diphenoxysilane (CID 66646198) is 2-bicyclo[2.2.1]hept-5-enyl-methyl-diphenoxysilane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl-methyl-diphenoxysilane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl-methyl-diphenoxysilane is C[Si](Oc1ccccc1)(Oc1ccccc1)C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl-methyl-diphenoxysilane?
The InChIKey is RJGXEYKLYXUQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2Si/c1-23(21-18-8-4-2-5-9-18,22-19-10-6-3-7-11-19)20-15-16-12-13-17(20)14-16/h2-13,16-17,20H,14-15H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl-methyl-diphenoxysilane?
2-bicyclo[2.2.1]hept-5-enyl-methyl-diphenoxysilane has a molecular weight of 322.48 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl-methyl-diphenoxysilane is sourced from PubChem (CID 66646198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).