2-bicyclo[2.2.1]hept-5-enyl-chloro-dimethylsilane

C9H15ClSi — CID 548778

IUPAC2-bicyclo[2.2.1]hept-5-enyl-chloro-dimethylsilane
SMILESC[Si](C)(Cl)C1CC2C=CC1C2
InChIInChI=1S/C9H15ClSi/c1-11(2,10)9-6-7-3-4-8(9)5-7/h3-4,7-9H,5-6H2,1-2H3
InChIKeyNSAXOJYXQJLTCA-UHFFFAOYSA-N
MW186.76 g/mol
LogP3.40
Rot. Bonds1

About 2-bicyclo[2.2.1]hept-5-enyl-chloro-dimethylsilane

2-bicyclo[2.2.1]hept-5-enyl-chloro-dimethylsilane (PubChem CID 548778) has the molecular formula C9H15ClSi and a molecular weight of 186.76 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl-chloro-dimethylsilane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl-chloro-dimethylsilane
PubChem CID548778
Molecular FormulaC9H15ClSi
Molecular Weight186.76 g/mol
Exact Mass186.06
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl-chloro-dimethylsilane
SMILESC[Si](C)(Cl)C1CC2C=CC1C2
InChIInChI=1S/C9H15ClSi/c1-11(2,10)9-6-7-3-4-8(9)5-7/h3-4,7-9H,5-6H2,1-2H3
InChIKeyNSAXOJYXQJLTCA-UHFFFAOYSA-N
XLogP3.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.76
LogP ≤ 53.40
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-chloro-dimethylsilane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-chloro-dimethylsilane (CID 548778) is 2-bicyclo[2.2.1]hept-5-enyl-chloro-dimethylsilane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl-chloro-dimethylsilane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl-chloro-dimethylsilane is C[Si](C)(Cl)C1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl-chloro-dimethylsilane?
The InChIKey is NSAXOJYXQJLTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClSi/c1-11(2,10)9-6-7-3-4-8(9)5-7/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl-chloro-dimethylsilane?
2-bicyclo[2.2.1]hept-5-enyl-chloro-dimethylsilane has a molecular weight of 186.76 g/mol, XLogP of 3.40, 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-chloro-dimethylsilane is sourced from PubChem (CID 548778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).