2-bicyclo[2.2.1]hept-5-enylmethyl(chloro)silane

C8H13ClSi — CID 123360565

IUPAC2-bicyclo[2.2.1]hept-5-enylmethyl(chloro)silane
SMILESCl[SiH2]CC1CC2C=CC1C2
InChIInChI=1S/C8H13ClSi/c9-10-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5,10H2
InChIKeyZSHOSKSCEPDYDM-UHFFFAOYSA-N
MW172.73 g/mol
LogP1.94
Rot. Bonds2

About 2-bicyclo[2.2.1]hept-5-enylmethyl(chloro)silane

2-bicyclo[2.2.1]hept-5-enylmethyl(chloro)silane (PubChem CID 123360565) has the molecular formula C8H13ClSi and a molecular weight of 172.73 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enylmethyl(chloro)silane.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enylmethyl(chloro)silane
PubChem CID123360565
Molecular FormulaC8H13ClSi
Molecular Weight172.73 g/mol
Exact Mass172.05
IUPAC Name2-bicyclo[2.2.1]hept-5-enylmethyl(chloro)silane
SMILESCl[SiH2]CC1CC2C=CC1C2
InChIInChI=1S/C8H13ClSi/c9-10-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5,10H2
InChIKeyZSHOSKSCEPDYDM-UHFFFAOYSA-N
XLogP1.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.73
LogP ≤ 51.94
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'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethyl(chloro)silane?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enylmethyl(chloro)silane (CID 123360565) is 2-bicyclo[2.2.1]hept-5-enylmethyl(chloro)silane.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enylmethyl(chloro)silane?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enylmethyl(chloro)silane is Cl[SiH2]CC1CC2C=CC1C2.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enylmethyl(chloro)silane?
The InChIKey is ZSHOSKSCEPDYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClSi/c9-10-5-8-4-6-1-2-7(8)3-6/h1-2,6-8H,3-5,10H2.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enylmethyl(chloro)silane?
2-bicyclo[2.2.1]hept-5-enylmethyl(chloro)silane has a molecular weight of 172.73 g/mol, XLogP of 1.94, 2 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(chloro)silane is sourced from PubChem (CID 123360565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).