2-bicyclo[2.2.1]hept-4-enyl-[chloro(ethoxy)methyl]silane

C10H17ClOSi — CID 123946018

IUPAC2-bicyclo[2.2.1]hept-4-enyl-[chloro(ethoxy)methyl]silane
SMILESCCOC(Cl)[SiH2]C1CC2=CCC1C2
InChIInChI=1S/C10H17ClOSi/c1-2-12-10(11)13-9-6-7-3-4-8(9)5-7/h3,8-10H,2,4-6,13H2,1H3
InChIKeyZMLWEQOGTNEESA-UHFFFAOYSA-N
MW216.78 g/mol
LogP2.24
Rot. Bonds4

About 2-bicyclo[2.2.1]hept-4-enyl-[chloro(ethoxy)methyl]silane

2-bicyclo[2.2.1]hept-4-enyl-[chloro(ethoxy)methyl]silane (PubChem CID 123946018) has the molecular formula C10H17ClOSi and a molecular weight of 216.78 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-4-enyl-[chloro(ethoxy)methyl]silane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-4-enyl-[chloro(ethoxy)methyl]silane
PubChem CID123946018
Molecular FormulaC10H17ClOSi
Molecular Weight216.78 g/mol
Exact Mass216.07
IUPAC Name2-bicyclo[2.2.1]hept-4-enyl-[chloro(ethoxy)methyl]silane
SMILESCCOC(Cl)[SiH2]C1CC2=CCC1C2
InChIInChI=1S/C10H17ClOSi/c1-2-12-10(11)13-9-6-7-3-4-8(9)5-7/h3,8-10H,2,4-6,13H2,1H3
InChIKeyZMLWEQOGTNEESA-UHFFFAOYSA-N
XLogP2.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.78
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-4-enyl-[chloro(ethoxy)methyl]silane?
The IUPAC name of 2-bicyclo[2.2.1]hept-4-enyl-[chloro(ethoxy)methyl]silane (CID 123946018) is 2-bicyclo[2.2.1]hept-4-enyl-[chloro(ethoxy)methyl]silane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-4-enyl-[chloro(ethoxy)methyl]silane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-4-enyl-[chloro(ethoxy)methyl]silane is CCOC(Cl)[SiH2]C1CC2=CCC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-4-enyl-[chloro(ethoxy)methyl]silane?
The InChIKey is ZMLWEQOGTNEESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClOSi/c1-2-12-10(11)13-9-6-7-3-4-8(9)5-7/h3,8-10H,2,4-6,13H2,1H3.
What are the key properties of 2-bicyclo[2.2.1]hept-4-enyl-[chloro(ethoxy)methyl]silane?
2-bicyclo[2.2.1]hept-4-enyl-[chloro(ethoxy)methyl]silane has a molecular weight of 216.78 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-4-enyl-[chloro(ethoxy)methyl]silane is sourced from PubChem (CID 123946018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).