1-bicyclo[2.2.1]hept-2-enyl(trichloro)silane

C7H9Cl3Si — CID 22325799

IUPAC1-bicyclo[2.2.1]hept-2-enyl(trichloro)silane
SMILESCl[Si](Cl)(Cl)C12C=CC(CC1)C2
InChIInChI=1S/C7H9Cl3Si/c8-11(9,10)7-3-1-6(5-7)2-4-7/h1,3,6H,2,4-5H2
InChIKeyATIPSPPGPYJOOP-UHFFFAOYSA-N
MW227.59 g/mol
LogP3.75
Rot. Bonds1

About 1-bicyclo[2.2.1]hept-2-enyl(trichloro)silane

1-bicyclo[2.2.1]hept-2-enyl(trichloro)silane (PubChem CID 22325799) has the molecular formula C7H9Cl3Si and a molecular weight of 227.59 g/mol. Its IUPAC name is 1-bicyclo[2.2.1]hept-2-enyl(trichloro)silane.

Molecular Properties

Compound Name1-bicyclo[2.2.1]hept-2-enyl(trichloro)silane
PubChem CID22325799
Molecular FormulaC7H9Cl3Si
Molecular Weight227.59 g/mol
Exact Mass225.95
IUPAC Name1-bicyclo[2.2.1]hept-2-enyl(trichloro)silane
SMILESCl[Si](Cl)(Cl)C12C=CC(CC1)C2
InChIInChI=1S/C7H9Cl3Si/c8-11(9,10)7-3-1-6(5-7)2-4-7/h1,3,6H,2,4-5H2
InChIKeyATIPSPPGPYJOOP-UHFFFAOYSA-N
XLogP3.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.59
LogP ≤ 53.75
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 1-bicyclo[2.2.1]hept-2-enyl(trichloro)silane?
The IUPAC name of 1-bicyclo[2.2.1]hept-2-enyl(trichloro)silane (CID 22325799) is 1-bicyclo[2.2.1]hept-2-enyl(trichloro)silane.
What is the SMILES notation for 1-bicyclo[2.2.1]hept-2-enyl(trichloro)silane?
The canonical SMILES for 1-bicyclo[2.2.1]hept-2-enyl(trichloro)silane is Cl[Si](Cl)(Cl)C12C=CC(CC1)C2.
What is the InChIKey of 1-bicyclo[2.2.1]hept-2-enyl(trichloro)silane?
The InChIKey is ATIPSPPGPYJOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl3Si/c8-11(9,10)7-3-1-6(5-7)2-4-7/h1,3,6H,2,4-5H2.
What are the key properties of 1-bicyclo[2.2.1]hept-2-enyl(trichloro)silane?
1-bicyclo[2.2.1]hept-2-enyl(trichloro)silane has a molecular weight of 227.59 g/mol, XLogP of 3.75, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[2.2.1]hept-2-enyl(trichloro)silane is sourced from PubChem (CID 22325799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).