bicyclo[2.2.2]octa-1,3,5,7-tetraene;ethyl(diphenoxy)silane

C22H22O2Si — CID 173061704

IUPACbicyclo[2.2.2]octa-1,3,5,7-tetraene;ethyl(diphenoxy)silane
SMILESCC[SiH](Oc1ccccc1)Oc1ccccc1.c1cc2ccc1cc2
InChIInChI=1S/C14H16O2Si.C8H6/c1-2-17(15-13-9-5-3-6-10-13)16-14-11-7-4-8-12-14;1-2-8-5-3-7(1)4-6-8/h3-12,17H,2H2,1H3;1-6H
InChIKeyRIOXMFANFBPTGN-UHFFFAOYSA-N
MW346.50 g/mol
LogP5.66
Rot. Bonds5

About bicyclo[2.2.2]octa-1,3,5,7-tetraene;ethyl(diphenoxy)silane

bicyclo[2.2.2]octa-1,3,5,7-tetraene;ethyl(diphenoxy)silane (PubChem CID 173061704) has the molecular formula C22H22O2Si and a molecular weight of 346.50 g/mol. Its IUPAC name is bicyclo[2.2.2]octa-1,3,5,7-tetraene;ethyl(diphenoxy)silane.

Molecular Properties

Compound Namebicyclo[2.2.2]octa-1,3,5,7-tetraene;ethyl(diphenoxy)silane
PubChem CID173061704
Molecular FormulaC22H22O2Si
Molecular Weight346.50 g/mol
Exact Mass346.14
IUPAC Namebicyclo[2.2.2]octa-1,3,5,7-tetraene;ethyl(diphenoxy)silane
SMILESCC[SiH](Oc1ccccc1)Oc1ccccc1.c1cc2ccc1cc2
InChIInChI=1S/C14H16O2Si.C8H6/c1-2-17(15-13-9-5-3-6-10-13)16-14-11-7-4-8-12-14;1-2-8-5-3-7(1)4-6-8/h3-12,17H,2H2,1H3;1-6H
InChIKeyRIOXMFANFBPTGN-UHFFFAOYSA-N
XLogP5.66
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.50
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze bicyclo[2.2.2]octa-1,3,5,7-tetraene;ethyl(diphenoxy)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl(phenoxy)silane
CID 123173184
diphenoxysilylmethyl(trimethyl)silane
CID 59357449
ethoxy(diphenoxy)silane
CID 123575589
butyl-(1-methoxyethoxy)-phenoxysilane
CID 175174287
pentan-3-yl(diphenoxy)silane
CID 175049693
ethane;phenoxybenzene;propane
CID 90923491
trimethyl-[[methyl(phenoxy)silyl]methyl]silane
CID 59357484
anisole;argon;propane
CID 165043377
ethoxybenzene chloride
CID 21193593
diethyl(2-phenoxyethoxy)silane
CID 150241657
2-(oxiran-2-ylmethoxy)butyl-diphenoxysilane
CID 173281552
bis(decane);phenoxyphosphane
CID 91140487

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.2]octa-1,3,5,7-tetraene;ethyl(diphenoxy)silane?
The IUPAC name of bicyclo[2.2.2]octa-1,3,5,7-tetraene;ethyl(diphenoxy)silane (CID 173061704) is bicyclo[2.2.2]octa-1,3,5,7-tetraene;ethyl(diphenoxy)silane.
What is the SMILES notation for bicyclo[2.2.2]octa-1,3,5,7-tetraene;ethyl(diphenoxy)silane?
The canonical SMILES for bicyclo[2.2.2]octa-1,3,5,7-tetraene;ethyl(diphenoxy)silane is CC[SiH](Oc1ccccc1)Oc1ccccc1.c1cc2ccc1cc2.
What is the InChIKey of bicyclo[2.2.2]octa-1,3,5,7-tetraene;ethyl(diphenoxy)silane?
The InChIKey is RIOXMFANFBPTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O2Si.C8H6/c1-2-17(15-13-9-5-3-6-10-13)16-14-11-7-4-8-12-14;1-2-8-5-3-7(1)4-6-8/h3-12,17H,2H2,1H3;1-6H.
What are the key properties of bicyclo[2.2.2]octa-1,3,5,7-tetraene;ethyl(diphenoxy)silane?
bicyclo[2.2.2]octa-1,3,5,7-tetraene;ethyl(diphenoxy)silane has a molecular weight of 346.50 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.2]octa-1,3,5,7-tetraene;ethyl(diphenoxy)silane is sourced from PubChem (CID 173061704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).