[4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichlorobutan-2-yl]silane

C11H18Cl2Si — CID 173198471

IUPAC[4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichlorobutan-2-yl]silane
SMILES[SiH3]C(CCC1CC2C=CC1C2)C(Cl)Cl
InChIInChI=1S/C11H18Cl2Si/c12-11(13)10(14)4-3-9-6-7-1-2-8(9)5-7/h1-2,7-11H,3-6H2,14H3
InChIKeyVVXTWFPIWLYWNX-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.94
Rot. Bonds4

About [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichlorobutan-2-yl]silane

[4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichlorobutan-2-yl]silane (PubChem CID 173198471) has the molecular formula C11H18Cl2Si and a molecular weight of 249.26 g/mol. Its IUPAC name is [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichlorobutan-2-yl]silane.

Molecular Properties

Compound Name[4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichlorobutan-2-yl]silane
PubChem CID173198471
Molecular FormulaC11H18Cl2Si
Molecular Weight249.26 g/mol
Exact Mass248.06
IUPAC Name[4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichlorobutan-2-yl]silane
SMILES[SiH3]C(CCC1CC2C=CC1C2)C(Cl)Cl
InChIInChI=1S/C11H18Cl2Si/c12-11(13)10(14)4-3-9-6-7-1-2-8(9)5-7/h1-2,7-11H,3-6H2,14H3
InChIKeyVVXTWFPIWLYWNX-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.94
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'}

Analyze [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichlorobutan-2-yl]silane 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 [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichlorobutan-2-yl]silane?
The IUPAC name of [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichlorobutan-2-yl]silane (CID 173198471) is [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichlorobutan-2-yl]silane.
What is the SMILES notation for [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichlorobutan-2-yl]silane?
The canonical SMILES for [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichlorobutan-2-yl]silane is [SiH3]C(CCC1CC2C=CC1C2)C(Cl)Cl.
What is the InChIKey of [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichlorobutan-2-yl]silane?
The InChIKey is VVXTWFPIWLYWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2Si/c12-11(13)10(14)4-3-9-6-7-1-2-8(9)5-7/h1-2,7-11H,3-6H2,14H3.
What are the key properties of [4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichlorobutan-2-yl]silane?
[4-(2-bicyclo[2.2.1]hept-5-enyl)-1,1-dichlorobutan-2-yl]silane has a molecular weight of 249.26 g/mol, XLogP of 2.94, 4 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)-1,1-dichlorobutan-2-yl]silane is sourced from PubChem (CID 173198471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).