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

C11H19ClSi — CID 154503731

IUPAC(5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-diethylsilane
SMILESCC[SiH](CC)C12C=CC(C1)C(Cl)C2
InChIInChI=1S/C11H19ClSi/c1-3-13(4-2)11-6-5-9(7-11)10(12)8-11/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeySVVLERLFWYSFQU-UHFFFAOYSA-N
MW214.81 g/mol
LogP3.58
Rot. Bonds3

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

(5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-diethylsilane (PubChem CID 154503731) has the molecular formula C11H19ClSi and a molecular weight of 214.81 g/mol. Its IUPAC name is (5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-diethylsilane.

Molecular Properties

Compound Name(5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-diethylsilane
PubChem CID154503731
Molecular FormulaC11H19ClSi
Molecular Weight214.81 g/mol
Exact Mass214.09
IUPAC Name(5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-diethylsilane
SMILESCC[SiH](CC)C12C=CC(C1)C(Cl)C2
InChIInChI=1S/C11H19ClSi/c1-3-13(4-2)11-6-5-9(7-11)10(12)8-11/h5-6,9-10,13H,3-4,7-8H2,1-2H3
InChIKeySVVLERLFWYSFQU-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.81
LogP ≤ 53.58
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)-diethylsilane?
The IUPAC name of (5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-diethylsilane (CID 154503731) is (5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-diethylsilane.
What is the SMILES notation for (5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-diethylsilane?
The canonical SMILES for (5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-diethylsilane is CC[SiH](CC)C12C=CC(C1)C(Cl)C2.
What is the InChIKey of (5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-diethylsilane?
The InChIKey is SVVLERLFWYSFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClSi/c1-3-13(4-2)11-6-5-9(7-11)10(12)8-11/h5-6,9-10,13H,3-4,7-8H2,1-2H3.
What are the key properties of (5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-diethylsilane?
(5-chloro-1-bicyclo[2.2.1]hept-2-enyl)-diethylsilane has a molecular weight of 214.81 g/mol, XLogP of 3.58, 3 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)-diethylsilane is sourced from PubChem (CID 154503731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).