2-(2-bicyclo[2.2.1]hept-5-enyl)-2,5-dimethyl-1,3,2-dioxasilinane

C12H20O2Si — CID 68977297

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)-2,5-dimethyl-1,3,2-dioxasilinane
SMILESCC1CO[Si](C)(C2CC3C=CC2C3)OC1
InChIInChI=1S/C12H20O2Si/c1-9-7-13-15(2,14-8-9)12-6-10-3-4-11(12)5-10/h3-4,9-12H,5-8H2,1-2H3
InChIKeyCLBCPNJWRAAYFL-UHFFFAOYSA-N
MW224.38 g/mol
LogP2.71
Rot. Bonds1

About 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,5-dimethyl-1,3,2-dioxasilinane

2-(2-bicyclo[2.2.1]hept-5-enyl)-2,5-dimethyl-1,3,2-dioxasilinane (PubChem CID 68977297) has the molecular formula C12H20O2Si and a molecular weight of 224.38 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,5-dimethyl-1,3,2-dioxasilinane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)-2,5-dimethyl-1,3,2-dioxasilinane
PubChem CID68977297
Molecular FormulaC12H20O2Si
Molecular Weight224.38 g/mol
Exact Mass224.12
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)-2,5-dimethyl-1,3,2-dioxasilinane
SMILESCC1CO[Si](C)(C2CC3C=CC2C3)OC1
InChIInChI=1S/C12H20O2Si/c1-9-7-13-15(2,14-8-9)12-6-10-3-4-11(12)5-10/h3-4,9-12H,5-8H2,1-2H3
InChIKeyCLBCPNJWRAAYFL-UHFFFAOYSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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)-2,5-dimethyl-1,3,2-dioxasilinane?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,5-dimethyl-1,3,2-dioxasilinane (CID 68977297) is 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,5-dimethyl-1,3,2-dioxasilinane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,5-dimethyl-1,3,2-dioxasilinane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,5-dimethyl-1,3,2-dioxasilinane is CC1CO[Si](C)(C2CC3C=CC2C3)OC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,5-dimethyl-1,3,2-dioxasilinane?
The InChIKey is CLBCPNJWRAAYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2Si/c1-9-7-13-15(2,14-8-9)12-6-10-3-4-11(12)5-10/h3-4,9-12H,5-8H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,5-dimethyl-1,3,2-dioxasilinane?
2-(2-bicyclo[2.2.1]hept-5-enyl)-2,5-dimethyl-1,3,2-dioxasilinane has a molecular weight of 224.38 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,5-dimethyl-1,3,2-dioxasilinane is sourced from PubChem (CID 68977297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).