ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinoline-3-carboxylate

C30H47NO5Si — CID 77454428

About ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinoline-3-carboxylate

ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinoline-3-carboxylate (PubChem CID 77454428) has the molecular formula C30H47NO5Si and a molecular weight of 529.79 g/mol. Its IUPAC name is ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinoline-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinoline-3-carboxylate
• PubChem CID: 77454428
• Molecular Formula: C30H47NO5Si
• Molecular Weight: 529.79 g/mol
• Exact Mass: 529.32
• IUPAC Name: ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinoline-3-carboxylate
• SMILES: CCOC(=O)c1c(C2CCOCC2)nc2c(c1C1=CCOCC1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2
• InChI: InChI=1S/C30H47NO5Si/c1-9-35-28(32)26-24(20-10-14-33-15-11-20)25-22(31-27(26)21-12-16-34-17-13-21)18-30(5,6)19-23(25)36-37(7,8)29(2,3)4/h10,21,23H,9,11-19H2,1-8H3
• InChIKey: DIBVMHPKEPAJSU-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 66.88 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.79
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinoline-3-carboxylate?

The IUPAC name of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinoline-3-carboxylate (CID 77454428) is ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinoline-3-carboxylate.

What is the SMILES notation for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinoline-3-carboxylate?

The canonical SMILES for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinoline-3-carboxylate is CCOC(=O)c1c(C2CCOCC2)nc2c(c1C1=CCOCC1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2.

What is the InChIKey of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinoline-3-carboxylate?

The InChIKey is DIBVMHPKEPAJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47NO5Si/c1-9-35-28(32)26-24(20-10-14-33-15-11-20)25-22(31-27(26)21-12-16-34-17-13-21)18-30(5,6)19-23(25)36-37(7,8)29(2,3)4/h10,21,23H,9,11-19H2,1-8H3.

What are the key properties of ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinoline-3-carboxylate?

ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinoline-3-carboxylate has a molecular weight of 529.79 g/mol, XLogP of 6.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinoline-3-carboxylate is sourced from PubChem (CID 77454428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).