2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trichlorosilane

C9H13Cl3Si — CID 22661615

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trichlorosilane
SMILESCl[Si](Cl)(Cl)CCC1CC2C=CC1C2
InChIInChI=1S/C9H13Cl3Si/c10-13(11,12)4-3-9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6H2
InChIKeyALVNNCNXYMELRG-UHFFFAOYSA-N
MW255.65 g/mol
LogP4.24
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trichlorosilane

2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trichlorosilane (PubChem CID 22661615) has the molecular formula C9H13Cl3Si and a molecular weight of 255.65 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trichlorosilane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trichlorosilane
PubChem CID22661615
Molecular FormulaC9H13Cl3Si
Molecular Weight255.65 g/mol
Exact Mass253.99
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trichlorosilane
SMILESCl[Si](Cl)(Cl)CCC1CC2C=CC1C2
InChIInChI=1S/C9H13Cl3Si/c10-13(11,12)4-3-9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6H2
InChIKeyALVNNCNXYMELRG-UHFFFAOYSA-N
XLogP4.24
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 ≤ 54.24
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-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trichlorosilane?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trichlorosilane (CID 22661615) is 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trichlorosilane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trichlorosilane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trichlorosilane is Cl[Si](Cl)(Cl)CCC1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trichlorosilane?
The InChIKey is ALVNNCNXYMELRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Cl3Si/c10-13(11,12)4-3-9-6-7-1-2-8(9)5-7/h1-2,7-9H,3-6H2.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trichlorosilane?
2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trichlorosilane has a molecular weight of 255.65 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-trichlorosilane is sourced from PubChem (CID 22661615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).