(3-chloro-2-bicyclo[2.2.1]hept-5-enyl)-triethylsilane

C13H23ClSi — CID 139978478

IUPAC(3-chloro-2-bicyclo[2.2.1]hept-5-enyl)-triethylsilane
SMILESCC[Si](CC)(CC)C1C2C=CC(C2)C1Cl
InChIInChI=1S/C13H23ClSi/c1-4-15(5-2,6-3)13-11-8-7-10(9-11)12(13)14/h7-8,10-13H,4-6,9H2,1-3H3
InChIKeyQAQNRFXIQPTMLN-UHFFFAOYSA-N
MW242.87 g/mol
LogP4.68
Rot. Bonds4

About (3-chloro-2-bicyclo[2.2.1]hept-5-enyl)-triethylsilane

(3-chloro-2-bicyclo[2.2.1]hept-5-enyl)-triethylsilane (PubChem CID 139978478) has the molecular formula C13H23ClSi and a molecular weight of 242.87 g/mol. Its IUPAC name is (3-chloro-2-bicyclo[2.2.1]hept-5-enyl)-triethylsilane.

Molecular Properties

Compound Name(3-chloro-2-bicyclo[2.2.1]hept-5-enyl)-triethylsilane
PubChem CID139978478
Molecular FormulaC13H23ClSi
Molecular Weight242.87 g/mol
Exact Mass242.13
IUPAC Name(3-chloro-2-bicyclo[2.2.1]hept-5-enyl)-triethylsilane
SMILESCC[Si](CC)(CC)C1C2C=CC(C2)C1Cl
InChIInChI=1S/C13H23ClSi/c1-4-15(5-2,6-3)13-11-8-7-10(9-11)12(13)14/h7-8,10-13H,4-6,9H2,1-3H3
InChIKeyQAQNRFXIQPTMLN-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.87
LogP ≤ 54.68
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 (3-chloro-2-bicyclo[2.2.1]hept-5-enyl)-triethylsilane?
The IUPAC name of (3-chloro-2-bicyclo[2.2.1]hept-5-enyl)-triethylsilane (CID 139978478) is (3-chloro-2-bicyclo[2.2.1]hept-5-enyl)-triethylsilane.
What is the SMILES notation for (3-chloro-2-bicyclo[2.2.1]hept-5-enyl)-triethylsilane?
The canonical SMILES for (3-chloro-2-bicyclo[2.2.1]hept-5-enyl)-triethylsilane is CC[Si](CC)(CC)C1C2C=CC(C2)C1Cl.
What is the InChIKey of (3-chloro-2-bicyclo[2.2.1]hept-5-enyl)-triethylsilane?
The InChIKey is QAQNRFXIQPTMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClSi/c1-4-15(5-2,6-3)13-11-8-7-10(9-11)12(13)14/h7-8,10-13H,4-6,9H2,1-3H3.
What are the key properties of (3-chloro-2-bicyclo[2.2.1]hept-5-enyl)-triethylsilane?
(3-chloro-2-bicyclo[2.2.1]hept-5-enyl)-triethylsilane has a molecular weight of 242.87 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-bicyclo[2.2.1]hept-5-enyl)-triethylsilane is sourced from PubChem (CID 139978478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).