ethyl 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridine-6-carboxylate

C23H36N2O3Si — CID 69099372

About ethyl 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridine-6-carboxylate

ethyl 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 69099372) has the molecular formula C23H36N2O3Si and a molecular weight of 416.64 g/mol. Its IUPAC name is ethyl 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: ethyl 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridine-6-carboxylate
• PubChem CID: 69099372
• Molecular Formula: C23H36N2O3Si
• Molecular Weight: 416.64 g/mol
• Exact Mass: 416.25
• IUPAC Name: ethyl 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridine-6-carboxylate
• SMILES: C=CCc1c(C(=O)OCC)cn2c(C)c(C)nc2c1O[Si](C)(C)C(C)(C)C(C)C
• InChI: InChI=1S/C23H36N2O3Si/c1-11-13-18-19(22(26)27-12-2)14-25-17(6)16(5)24-21(25)20(18)28-29(9,10)23(7,8)15(3)4/h11,14-15H,1,12-13H2,2-10H3
• InChIKey: FCHOOAWQJOTEMY-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 52.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.64
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridine-6-carboxylate?

The IUPAC name of ethyl 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridine-6-carboxylate (CID 69099372) is ethyl 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridine-6-carboxylate.

What is the SMILES notation for ethyl 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridine-6-carboxylate?

The canonical SMILES for ethyl 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridine-6-carboxylate is C=CCc1c(C(=O)OCC)cn2c(C)c(C)nc2c1O[Si](C)(C)C(C)(C)C(C)C.

What is the InChIKey of ethyl 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridine-6-carboxylate?

The InChIKey is FCHOOAWQJOTEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O3Si/c1-11-13-18-19(22(26)27-12-2)14-25-17(6)16(5)24-21(25)20(18)28-29(9,10)23(7,8)15(3)4/h11,14-15H,1,12-13H2,2-10H3.

What are the key properties of ethyl 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridine-6-carboxylate?

ethyl 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 416.64 g/mol, XLogP of 5.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-prop-2-enylimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 69099372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).