4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-chloro-dimethylsilane

C13H23ClSi — CID 22228852

IUPAC4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-chloro-dimethylsilane
SMILESC[Si](C)(Cl)CCCCC1CC2C=CC1C2
InChIInChI=1S/C13H23ClSi/c1-15(2,14)8-4-3-5-12-9-11-6-7-13(12)10-11/h6-7,11-13H,3-5,8-10H2,1-2H3
InChIKeyMMAPDWIFQCOALK-UHFFFAOYSA-N
MW242.87 g/mol
LogP4.81
Rot. Bonds5

About 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-chloro-dimethylsilane

4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-chloro-dimethylsilane (PubChem CID 22228852) has the molecular formula C13H23ClSi and a molecular weight of 242.87 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-chloro-dimethylsilane.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-chloro-dimethylsilane
PubChem CID22228852
Molecular FormulaC13H23ClSi
Molecular Weight242.87 g/mol
Exact Mass242.13
IUPAC Name4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-chloro-dimethylsilane
SMILESC[Si](C)(Cl)CCCCC1CC2C=CC1C2
InChIInChI=1S/C13H23ClSi/c1-15(2,14)8-4-3-5-12-9-11-6-7-13(12)10-11/h6-7,11-13H,3-5,8-10H2,1-2H3
InChIKeyMMAPDWIFQCOALK-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.87
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-chloro-dimethylsilane?
The IUPAC name of 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-chloro-dimethylsilane (CID 22228852) is 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-chloro-dimethylsilane.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-chloro-dimethylsilane?
The canonical SMILES for 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-chloro-dimethylsilane is C[Si](C)(Cl)CCCCC1CC2C=CC1C2.
What is the InChIKey of 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-chloro-dimethylsilane?
The InChIKey is MMAPDWIFQCOALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23ClSi/c1-15(2,14)8-4-3-5-12-9-11-6-7-13(12)10-11/h6-7,11-13H,3-5,8-10H2,1-2H3.
What are the key properties of 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-chloro-dimethylsilane?
4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-chloro-dimethylsilane has a molecular weight of 242.87 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]hept-5-enyl)butyl-chloro-dimethylsilane is sourced from PubChem (CID 22228852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).