[9-[tert-butyl(dimethyl)silyl]oxy-3-[6-(difluoromethyl)-3-pyridinyl]-7,7-dimethyl-4-(oxan-4-yl)spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-6-yl] acetate

C36H50F2N2O6Si — CID 123624278

About [9-[tert-butyl(dimethyl)silyl]oxy-3-[6-(difluoromethyl)-3-pyridinyl]-7,7-dimethyl-4-(oxan-4-yl)spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-6-yl] acetate

[9-[tert-butyl(dimethyl)silyl]oxy-3-[6-(difluoromethyl)-3-pyridinyl]-7,7-dimethyl-4-(oxan-4-yl)spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-6-yl] acetate (PubChem CID 123624278) has the molecular formula C36H50F2N2O6Si and a molecular weight of 672.89 g/mol. Its IUPAC name is [9-[tert-butyl(dimethyl)silyl]oxy-3-[6-(difluoromethyl)-3-pyridinyl]-7,7-dimethyl-4-(oxan-4-yl)spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-6-yl] acetate.

Molecular Properties

• Compound Name: [9-[tert-butyl(dimethyl)silyl]oxy-3-[6-(difluoromethyl)-3-pyridinyl]-7,7-dimethyl-4-(oxan-4-yl)spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-6-yl] acetate
• PubChem CID: 123624278
• Molecular Formula: C36H50F2N2O6Si
• Molecular Weight: 672.89 g/mol
• Exact Mass: 672.34
• IUPAC Name: [9-[tert-butyl(dimethyl)silyl]oxy-3-[6-(difluoromethyl)-3-pyridinyl]-7,7-dimethyl-4-(oxan-4-yl)spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-6-yl] acetate
• SMILES: CC(=O)OC1c2nc(C3CCOCC3)c3c(c2C(O[Si](C)(C)C(C)(C)C)CC1(C)C)C1(CCOCC1)OC3c1ccc(C(F)F)nc1
• InChI: InChI=1S/C36H50F2N2O6Si/c1-21(41)44-32-30-26(25(19-35(32,5)6)46-47(7,8)34(2,3)4)28-27(29(40-30)22-11-15-42-16-12-22)31(45-36(28)13-17-43-18-14-36)23-9-10-24(33(37)38)39-20-23/h9-10,20,22,25,31-33H,11-19H2,1-8H3
• InChIKey: IMIRUSLGPFJUHL-UHFFFAOYSA-N
• XLogP: 8.53
• TPSA: 89.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.89
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [9-[tert-butyl(dimethyl)silyl]oxy-3-[6-(difluoromethyl)-3-pyridinyl]-7,7-dimethyl-4-(oxan-4-yl)spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-6-yl] acetate?

The IUPAC name of [9-[tert-butyl(dimethyl)silyl]oxy-3-[6-(difluoromethyl)-3-pyridinyl]-7,7-dimethyl-4-(oxan-4-yl)spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-6-yl] acetate (CID 123624278) is [9-[tert-butyl(dimethyl)silyl]oxy-3-[6-(difluoromethyl)-3-pyridinyl]-7,7-dimethyl-4-(oxan-4-yl)spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-6-yl] acetate.

What is the SMILES notation for [9-[tert-butyl(dimethyl)silyl]oxy-3-[6-(difluoromethyl)-3-pyridinyl]-7,7-dimethyl-4-(oxan-4-yl)spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-6-yl] acetate?

The canonical SMILES for [9-[tert-butyl(dimethyl)silyl]oxy-3-[6-(difluoromethyl)-3-pyridinyl]-7,7-dimethyl-4-(oxan-4-yl)spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-6-yl] acetate is CC(=O)OC1c2nc(C3CCOCC3)c3c(c2C(O[Si](C)(C)C(C)(C)C)CC1(C)C)C1(CCOCC1)OC3c1ccc(C(F)F)nc1.

What is the InChIKey of [9-[tert-butyl(dimethyl)silyl]oxy-3-[6-(difluoromethyl)-3-pyridinyl]-7,7-dimethyl-4-(oxan-4-yl)spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-6-yl] acetate?

The InChIKey is IMIRUSLGPFJUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H50F2N2O6Si/c1-21(41)44-32-30-26(25(19-35(32,5)6)46-47(7,8)34(2,3)4)28-27(29(40-30)22-11-15-42-16-12-22)31(45-36(28)13-17-43-18-14-36)23-9-10-24(33(37)38)39-20-23/h9-10,20,22,25,31-33H,11-19H2,1-8H3.

What are the key properties of [9-[tert-butyl(dimethyl)silyl]oxy-3-[6-(difluoromethyl)-3-pyridinyl]-7,7-dimethyl-4-(oxan-4-yl)spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-6-yl] acetate?

[9-[tert-butyl(dimethyl)silyl]oxy-3-[6-(difluoromethyl)-3-pyridinyl]-7,7-dimethyl-4-(oxan-4-yl)spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-6-yl] acetate has a molecular weight of 672.89 g/mol, XLogP of 8.53, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [9-[tert-butyl(dimethyl)silyl]oxy-3-[6-(difluoromethyl)-3-pyridinyl]-7,7-dimethyl-4-(oxan-4-yl)spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-6-yl] acetate is sourced from PubChem (CID 123624278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).