2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilolane

C12H20O2Si — CID 22138468

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilolane
SMILESCC1O[Si](C)(C2CC3C=CC2C3)OC1C
InChIInChI=1S/C12H20O2Si/c1-8-9(2)14-15(3,13-8)12-7-10-4-5-11(12)6-10/h4-5,8-12H,6-7H2,1-3H3
InChIKeyJXGPPCSKOIOWEH-UHFFFAOYSA-N
MW224.38 g/mol
LogP2.85
Rot. Bonds1

About 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilolane

2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilolane (PubChem CID 22138468) 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)-2,4,5-trimethyl-1,3,2-dioxasilolane.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilolane
PubChem CID22138468
Molecular FormulaC12H20O2Si
Molecular Weight224.38 g/mol
Exact Mass224.12
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilolane
SMILESCC1O[Si](C)(C2CC3C=CC2C3)OC1C
InChIInChI=1S/C12H20O2Si/c1-8-9(2)14-15(3,13-8)12-7-10-4-5-11(12)6-10/h4-5,8-12H,6-7H2,1-3H3
InChIKeyJXGPPCSKOIOWEH-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
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)-2,4,5-trimethyl-1,3,2-dioxasilolane?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilolane (CID 22138468) is 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilolane.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilolane?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilolane is CC1O[Si](C)(C2CC3C=CC2C3)OC1C.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilolane?
The InChIKey is JXGPPCSKOIOWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2Si/c1-8-9(2)14-15(3,13-8)12-7-10-4-5-11(12)6-10/h4-5,8-12H,6-7H2,1-3H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilolane?
2-(2-bicyclo[2.2.1]hept-5-enyl)-2,4,5-trimethyl-1,3,2-dioxasilolane has a molecular weight of 224.38 g/mol, XLogP of 2.85, 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)-2,4,5-trimethyl-1,3,2-dioxasilolane is sourced from PubChem (CID 22138468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).