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

C34H47F3N2O4Si — CID 162590709

IUPACtert-butyl-[(3R)-7,7-dimethyl-4-(oxan-4-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane
SMILESCC1(C)Cc2nc(C3CCOCC3)c3c(c2C(O[Si](C)(C)C(C)(C)C)C1)C1(CCOCC1)O[C@@H]3c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C34H47F3N2O4Si/c1-31(2,3)44(6,7)43-24-19-32(4,5)18-23-26(24)28-27(29(39-23)21-10-14-40-15-11-21)30(42-33(28)12-16-41-17-13-33)22-8-9-25(38-20-22)34(35,36)37/h8-9,20-21,24,30H,10-19H2,1-7H3/t24?,30-/m1/s1
InChIKeyTXBHTSWQSRRDRW-BXFARTRRSA-N
MW632.84 g/mol
LogP8.55
Rot. Bonds4

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

tert-butyl-[(3R)-7,7-dimethyl-4-(oxan-4-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane (PubChem CID 162590709) has the molecular formula C34H47F3N2O4Si and a molecular weight of 632.84 g/mol. Its IUPAC name is tert-butyl-[(3R)-7,7-dimethyl-4-(oxan-4-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R)-7,7-dimethyl-4-(oxan-4-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane
PubChem CID162590709
Molecular FormulaC34H47F3N2O4Si
Molecular Weight632.84 g/mol
Exact Mass632.33
IUPAC Nametert-butyl-[(3R)-7,7-dimethyl-4-(oxan-4-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane
SMILESCC1(C)Cc2nc(C3CCOCC3)c3c(c2C(O[Si](C)(C)C(C)(C)C)C1)C1(CCOCC1)O[C@@H]3c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C34H47F3N2O4Si/c1-31(2,3)44(6,7)43-24-19-32(4,5)18-23-26(24)28-27(29(39-23)21-10-14-40-15-11-21)30(42-33(28)12-16-41-17-13-33)22-8-9-25(38-20-22)34(35,36)37/h8-9,20-21,24,30H,10-19H2,1-7H3/t24?,30-/m1/s1
InChIKeyTXBHTSWQSRRDRW-BXFARTRRSA-N
XLogP8.55
TPSA62.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.84
LogP ≤ 58.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R)-7,7-dimethyl-4-(oxan-4-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R)-7,7-dimethyl-4-(oxan-4-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane (CID 162590709) is tert-butyl-[(3R)-7,7-dimethyl-4-(oxan-4-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R)-7,7-dimethyl-4-(oxan-4-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R)-7,7-dimethyl-4-(oxan-4-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane is CC1(C)Cc2nc(C3CCOCC3)c3c(c2C(O[Si](C)(C)C(C)(C)C)C1)C1(CCOCC1)O[C@@H]3c1ccc(C(F)(F)F)nc1.
What is the InChIKey of tert-butyl-[(3R)-7,7-dimethyl-4-(oxan-4-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane?
The InChIKey is TXBHTSWQSRRDRW-BXFARTRRSA-N. The full InChI is InChI=1S/C34H47F3N2O4Si/c1-31(2,3)44(6,7)43-24-19-32(4,5)18-23-26(24)28-27(29(39-23)21-10-14-40-15-11-21)30(42-33(28)12-16-41-17-13-33)22-8-9-25(38-20-22)34(35,36)37/h8-9,20-21,24,30H,10-19H2,1-7H3/t24?,30-/m1/s1.
What are the key properties of tert-butyl-[(3R)-7,7-dimethyl-4-(oxan-4-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane?
tert-butyl-[(3R)-7,7-dimethyl-4-(oxan-4-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane has a molecular weight of 632.84 g/mol, XLogP of 8.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R)-7,7-dimethyl-4-(oxan-4-yl)-3-[6-(trifluoromethyl)-3-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane is sourced from PubChem (CID 162590709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).