2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-chloro-dipropylsilane

C15H27ClSi — CID 22228894

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-chloro-dipropylsilane
SMILESCCC[Si](Cl)(CCC)CCC1CC2C=CC1C2
InChIInChI=1S/C15H27ClSi/c1-3-8-17(16,9-4-2)10-7-15-12-13-5-6-14(15)11-13/h5-6,13-15H,3-4,7-12H2,1-2H3
InChIKeyQKMHRKXMSJFRCX-UHFFFAOYSA-N
MW270.92 g/mol
LogP5.59
Rot. Bonds7

About 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-chloro-dipropylsilane

2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-chloro-dipropylsilane (PubChem CID 22228894) has the molecular formula C15H27ClSi and a molecular weight of 270.92 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-chloro-dipropylsilane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-chloro-dipropylsilane
PubChem CID22228894
Molecular FormulaC15H27ClSi
Molecular Weight270.92 g/mol
Exact Mass270.16
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-chloro-dipropylsilane
SMILESCCC[Si](Cl)(CCC)CCC1CC2C=CC1C2
InChIInChI=1S/C15H27ClSi/c1-3-8-17(16,9-4-2)10-7-15-12-13-5-6-14(15)11-13/h5-6,13-15H,3-4,7-12H2,1-2H3
InChIKeyQKMHRKXMSJFRCX-UHFFFAOYSA-N
XLogP5.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.92
LogP ≤ 55.59
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-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-chloro-dipropylsilane?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-chloro-dipropylsilane (CID 22228894) is 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-chloro-dipropylsilane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-chloro-dipropylsilane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-chloro-dipropylsilane is CCC[Si](Cl)(CCC)CCC1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-chloro-dipropylsilane?
The InChIKey is QKMHRKXMSJFRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClSi/c1-3-8-17(16,9-4-2)10-7-15-12-13-5-6-14(15)11-13/h5-6,13-15H,3-4,7-12H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-chloro-dipropylsilane?
2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-chloro-dipropylsilane has a molecular weight of 270.92 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-chloro-dipropylsilane is sourced from PubChem (CID 22228894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).