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

C15H28Si — CID 22228966

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-butyl-dimethylsilane
SMILESCCCC[Si](C)(C)CCC1CC2C=CC1C2
InChIInChI=1S/C15H28Si/c1-4-5-9-16(2,3)10-8-15-12-13-6-7-14(15)11-13/h6-7,13-15H,4-5,8-12H2,1-3H3
InChIKeyVFNVSNZSKBPSQM-UHFFFAOYSA-N
MW236.47 g/mol
LogP5.10
Rot. Bonds6

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

2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-butyl-dimethylsilane (PubChem CID 22228966) has the molecular formula C15H28Si and a molecular weight of 236.47 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-butyl-dimethylsilane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-butyl-dimethylsilane
PubChem CID22228966
Molecular FormulaC15H28Si
Molecular Weight236.47 g/mol
Exact Mass236.20
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-butyl-dimethylsilane
SMILESCCCC[Si](C)(C)CCC1CC2C=CC1C2
InChIInChI=1S/C15H28Si/c1-4-5-9-16(2,3)10-8-15-12-13-6-7-14(15)11-13/h6-7,13-15H,4-5,8-12H2,1-3H3
InChIKeyVFNVSNZSKBPSQM-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.47
LogP ≤ 55.10
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-butyl-dimethylsilane?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-butyl-dimethylsilane (CID 22228966) is 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-butyl-dimethylsilane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-butyl-dimethylsilane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-butyl-dimethylsilane is CCCC[Si](C)(C)CCC1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-butyl-dimethylsilane?
The InChIKey is VFNVSNZSKBPSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28Si/c1-4-5-9-16(2,3)10-8-15-12-13-6-7-14(15)11-13/h6-7,13-15H,4-5,8-12H2,1-3H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-butyl-dimethylsilane?
2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-butyl-dimethylsilane has a molecular weight of 236.47 g/mol, XLogP of 5.10, 6 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-butyl-dimethylsilane is sourced from PubChem (CID 22228966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).