2-(1-bicyclo[2.2.1]hept-2-enyl)ethyl-trichlorosilane

C9H13Cl3Si — CID 22325724

IUPAC2-(1-bicyclo[2.2.1]hept-2-enyl)ethyl-trichlorosilane
SMILESCl[Si](Cl)(Cl)CCC12C=CC(CC1)C2
InChIInChI=1S/C9H13Cl3Si/c10-13(11,12)6-5-9-3-1-8(7-9)2-4-9/h1,3,8H,2,4-7H2
InChIKeyCJIKCIXUSNKIAV-UHFFFAOYSA-N
MW255.65 g/mol
LogP4.39
Rot. Bonds3

About 2-(1-bicyclo[2.2.1]hept-2-enyl)ethyl-trichlorosilane

2-(1-bicyclo[2.2.1]hept-2-enyl)ethyl-trichlorosilane (PubChem CID 22325724) has the molecular formula C9H13Cl3Si and a molecular weight of 255.65 g/mol. Its IUPAC name is 2-(1-bicyclo[2.2.1]hept-2-enyl)ethyl-trichlorosilane.

Molecular Properties

Compound Name2-(1-bicyclo[2.2.1]hept-2-enyl)ethyl-trichlorosilane
PubChem CID22325724
Molecular FormulaC9H13Cl3Si
Molecular Weight255.65 g/mol
Exact Mass253.99
IUPAC Name2-(1-bicyclo[2.2.1]hept-2-enyl)ethyl-trichlorosilane
SMILESCl[Si](Cl)(Cl)CCC12C=CC(CC1)C2
InChIInChI=1S/C9H13Cl3Si/c10-13(11,12)6-5-9-3-1-8(7-9)2-4-9/h1,3,8H,2,4-7H2
InChIKeyCJIKCIXUSNKIAV-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.65
LogP ≤ 54.39
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-(1-bicyclo[2.2.1]hept-2-enyl)ethyl-trichlorosilane?
The IUPAC name of 2-(1-bicyclo[2.2.1]hept-2-enyl)ethyl-trichlorosilane (CID 22325724) is 2-(1-bicyclo[2.2.1]hept-2-enyl)ethyl-trichlorosilane.
What is the SMILES notation for 2-(1-bicyclo[2.2.1]hept-2-enyl)ethyl-trichlorosilane?
The canonical SMILES for 2-(1-bicyclo[2.2.1]hept-2-enyl)ethyl-trichlorosilane is Cl[Si](Cl)(Cl)CCC12C=CC(CC1)C2.
What is the InChIKey of 2-(1-bicyclo[2.2.1]hept-2-enyl)ethyl-trichlorosilane?
The InChIKey is CJIKCIXUSNKIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl3Si/c10-13(11,12)6-5-9-3-1-8(7-9)2-4-9/h1,3,8H,2,4-7H2.
What are the key properties of 2-(1-bicyclo[2.2.1]hept-2-enyl)ethyl-trichlorosilane?
2-(1-bicyclo[2.2.1]hept-2-enyl)ethyl-trichlorosilane has a molecular weight of 255.65 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bicyclo[2.2.1]hept-2-enyl)ethyl-trichlorosilane is sourced from PubChem (CID 22325724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).