(5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-dimethylsilane

C9H15ClSi — CID 154503729

IUPAC(5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-dimethylsilane
SMILESC[SiH](C)C12C=CC(C1)C(Cl)C2
InChIInChI=1S/C9H15ClSi/c1-11(2)9-4-3-7(5-9)8(10)6-9/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyOQHMQXGRUSUECI-UHFFFAOYSA-N
MW186.76 g/mol
LogP2.80
Rot. Bonds1

About (5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-dimethylsilane

(5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-dimethylsilane (PubChem CID 154503729) has the molecular formula C9H15ClSi and a molecular weight of 186.76 g/mol. Its IUPAC name is (5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-dimethylsilane.

Molecular Properties

Compound Name(5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-dimethylsilane
PubChem CID154503729
Molecular FormulaC9H15ClSi
Molecular Weight186.76 g/mol
Exact Mass186.06
IUPAC Name(5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-dimethylsilane
SMILESC[SiH](C)C12C=CC(C1)C(Cl)C2
InChIInChI=1S/C9H15ClSi/c1-11(2)9-4-3-7(5-9)8(10)6-9/h3-4,7-8,11H,5-6H2,1-2H3
InChIKeyOQHMQXGRUSUECI-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-dimethylsilane?
The IUPAC name of (5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-dimethylsilane (CID 154503729) is (5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-dimethylsilane.
What is the SMILES notation for (5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-dimethylsilane?
The canonical SMILES for (5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-dimethylsilane is C[SiH](C)C12C=CC(C1)C(Cl)C2.
What is the InChIKey of (5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-dimethylsilane?
The InChIKey is OQHMQXGRUSUECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClSi/c1-11(2)9-4-3-7(5-9)8(10)6-9/h3-4,7-8,11H,5-6H2,1-2H3.
What are the key properties of (5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-dimethylsilane?
(5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-dimethylsilane has a molecular weight of 186.76 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-dimethylsilane is sourced from PubChem (CID 154503729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).