2-bicyclo[2.2.1]hept-5-enyl-tert-butyl-dichlorosilane

C11H18Cl2Si — CID 14173081

IUPAC2-bicyclo[2.2.1]hept-5-enyl-tert-butyl-dichlorosilane
SMILESCC(C)(C)[Si](Cl)(Cl)C1CC2C=CC1C2
InChIInChI=1S/C11H18Cl2Si/c1-11(2,3)14(12,13)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3
InChIKeyFSAQDIZGQFZRRG-UHFFFAOYSA-N
MW249.26 g/mol
LogP4.67
Rot. Bonds1

About 2-bicyclo[2.2.1]hept-5-enyl-tert-butyl-dichlorosilane

2-bicyclo[2.2.1]hept-5-enyl-tert-butyl-dichlorosilane (PubChem CID 14173081) has the molecular formula C11H18Cl2Si and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl-tert-butyl-dichlorosilane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl-tert-butyl-dichlorosilane
PubChem CID14173081
Molecular FormulaC11H18Cl2Si
Molecular Weight249.26 g/mol
Exact Mass248.06
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl-tert-butyl-dichlorosilane
SMILESCC(C)(C)[Si](Cl)(Cl)C1CC2C=CC1C2
InChIInChI=1S/C11H18Cl2Si/c1-11(2,3)14(12,13)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3
InChIKeyFSAQDIZGQFZRRG-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 54.67
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-tert-butyl-dichlorosilane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-tert-butyl-dichlorosilane (CID 14173081) is 2-bicyclo[2.2.1]hept-5-enyl-tert-butyl-dichlorosilane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl-tert-butyl-dichlorosilane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl-tert-butyl-dichlorosilane is CC(C)(C)[Si](Cl)(Cl)C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl-tert-butyl-dichlorosilane?
The InChIKey is FSAQDIZGQFZRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2Si/c1-11(2,3)14(12,13)10-7-8-4-5-9(10)6-8/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl-tert-butyl-dichlorosilane?
2-bicyclo[2.2.1]hept-5-enyl-tert-butyl-dichlorosilane has a molecular weight of 249.26 g/mol, XLogP of 4.67, 1 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-tert-butyl-dichlorosilane is sourced from PubChem (CID 14173081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).