[(3R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-6-yl] acetate

C35H48F3NO4Si — CID 162560793

About [(3R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-6-yl] acetate

[(3R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-6-yl] acetate (PubChem CID 162560793) has the molecular formula C35H48F3NO4Si and a molecular weight of 631.85 g/mol. Its IUPAC name is [(3R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-6-yl] acetate.

Molecular Properties

• Compound Name: [(3R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-6-yl] acetate
• PubChem CID: 162560793
• Molecular Formula: C35H48F3NO4Si
• Molecular Weight: 631.85 g/mol
• Exact Mass: 631.33
• IUPAC Name: [(3R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-6-yl] acetate
• SMILES: CC(=O)O[C@H]1c2nc(C(C)C)c3c(c2C(O[Si](C)(C)C(C)(C)C)CC1(C)C)C1(CCCC1)O[C@@H]3c1ccc(C(F)(F)F)cc1
• InChI: InChI=1S/C35H48F3NO4Si/c1-20(2)28-26-27(34(17-11-12-18-34)42-30(26)22-13-15-23(16-14-22)35(36,37)38)25-24(43-44(9,10)32(4,5)6)19-33(7,8)31(29(25)39-28)41-21(3)40/h13-16,20,24,30-31H,11-12,17-19H2,1-10H3/t24?,30-,31+/m1/s1
• InChIKey: SUQMYXDMGFIDLQ-MRJHNURISA-N
• XLogP: 10.21
• TPSA: 57.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	631.85
LogP ≤ 5	10.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(3R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-6-yl] acetate?

The IUPAC name of [(3R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-6-yl] acetate (CID 162560793) is [(3R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-6-yl] acetate.

What is the SMILES notation for [(3R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-6-yl] acetate?

The canonical SMILES for [(3R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-6-yl] acetate is CC(=O)O[C@H]1c2nc(C(C)C)c3c(c2C(O[Si](C)(C)C(C)(C)C)CC1(C)C)C1(CCCC1)O[C@@H]3c1ccc(C(F)(F)F)cc1.

What is the InChIKey of [(3R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-6-yl] acetate?

The InChIKey is SUQMYXDMGFIDLQ-MRJHNURISA-N. The full InChI is InChI=1S/C35H48F3NO4Si/c1-20(2)28-26-27(34(17-11-12-18-34)42-30(26)22-13-15-23(16-14-22)35(36,37)38)25-24(43-44(9,10)32(4,5)6)19-33(7,8)31(29(25)39-28)41-21(3)40/h13-16,20,24,30-31H,11-12,17-19H2,1-10H3/t24?,30-,31+/m1/s1.

What are the key properties of [(3R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-6-yl] acetate?

[(3R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-6-yl] acetate has a molecular weight of 631.85 g/mol, XLogP of 10.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,6R)-9-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-4-propan-2-yl-3-[4-(trifluoromethyl)phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-6-yl] acetate is sourced from PubChem (CID 162560793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).