2-bicyclo[2.2.1]hept-5-enylmethyl-butyl-dimethylsilane

C14H26Si — CID 22228875

IUPAC2-bicyclo[2.2.1]hept-5-enylmethyl-butyl-dimethylsilane
SMILESCCCC[Si](C)(C)CC1CC2C=CC1C2
InChIInChI=1S/C14H26Si/c1-4-5-8-15(2,3)11-14-10-12-6-7-13(14)9-12/h6-7,12-14H,4-5,8-11H2,1-3H3
InChIKeyRTHYCKXPSFZXSJ-UHFFFAOYSA-N
MW222.45 g/mol
LogP4.71
Rot. Bonds5

About 2-bicyclo[2.2.1]hept-5-enylmethyl-butyl-dimethylsilane

2-bicyclo[2.2.1]hept-5-enylmethyl-butyl-dimethylsilane (PubChem CID 22228875) has the molecular formula C14H26Si and a molecular weight of 222.45 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethyl-butyl-dimethylsilane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethyl-butyl-dimethylsilane
PubChem CID22228875
Molecular FormulaC14H26Si
Molecular Weight222.45 g/mol
Exact Mass222.18
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethyl-butyl-dimethylsilane
SMILESCCCC[Si](C)(C)CC1CC2C=CC1C2
InChIInChI=1S/C14H26Si/c1-4-5-8-15(2,3)11-14-10-12-6-7-13(14)9-12/h6-7,12-14H,4-5,8-11H2,1-3H3
InChIKeyRTHYCKXPSFZXSJ-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.45
LogP ≤ 54.71
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'}

Analyze 2-bicyclo[2.2.1]hept-5-enylmethyl-butyl-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethyl-butyl-dimethylsilane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethyl-butyl-dimethylsilane (CID 22228875) is 2-bicyclo[2.2.1]hept-5-enylmethyl-butyl-dimethylsilane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethyl-butyl-dimethylsilane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethyl-butyl-dimethylsilane is CCCC[Si](C)(C)CC1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethyl-butyl-dimethylsilane?
The InChIKey is RTHYCKXPSFZXSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26Si/c1-4-5-8-15(2,3)11-14-10-12-6-7-13(14)9-12/h6-7,12-14H,4-5,8-11H2,1-3H3.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethyl-butyl-dimethylsilane?
2-bicyclo[2.2.1]hept-5-enylmethyl-butyl-dimethylsilane has a molecular weight of 222.45 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enylmethyl-butyl-dimethylsilane is sourced from PubChem (CID 22228875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).