tert-butyl-[7,7-dimethyl-4-(oxan-4-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane

C34H47F3N2O4Si — CID 77227929

IUPACtert-butyl-[7,7-dimethyl-4-(oxan-4-yl)-3-[5-(trifluoromethyl)-2-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)OC3c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C34H47F3N2O4Si/c1-31(2,3)44(6,7)43-25-19-32(4,5)18-24-26(25)28-27(29(39-24)21-10-14-40-15-11-21)30(42-33(28)12-16-41-17-13-33)23-9-8-22(20-38-23)34(35,36)37/h8-9,20-21,25,30H,10-19H2,1-7H3
InChIKeyIPGQSEZDAJRPAT-UHFFFAOYSA-N
MW632.84 g/mol
LogP8.55
Rot. Bonds4

About tert-butyl-[7,7-dimethyl-4-(oxan-4-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane

tert-butyl-[7,7-dimethyl-4-(oxan-4-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane (PubChem CID 77227929) has the molecular formula C34H47F3N2O4Si and a molecular weight of 632.84 g/mol. Its IUPAC name is tert-butyl-[7,7-dimethyl-4-(oxan-4-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[7,7-dimethyl-4-(oxan-4-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane
PubChem CID77227929
Molecular FormulaC34H47F3N2O4Si
Molecular Weight632.84 g/mol
Exact Mass632.33
IUPAC Nametert-butyl-[7,7-dimethyl-4-(oxan-4-yl)-3-[5-(trifluoromethyl)-2-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)OC3c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C34H47F3N2O4Si/c1-31(2,3)44(6,7)43-25-19-32(4,5)18-24-26(25)28-27(29(39-24)21-10-14-40-15-11-21)30(42-33(28)12-16-41-17-13-33)23-9-8-22(20-38-23)34(35,36)37/h8-9,20-21,25,30H,10-19H2,1-7H3
InChIKeyIPGQSEZDAJRPAT-UHFFFAOYSA-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'}

Analyze tert-butyl-[7,7-dimethyl-4-(oxan-4-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane with MolForge

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Related Compounds

tert-butyl-[(3R,9S)-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 66763175
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
5-[9-[tert-butyl(dimethyl)silyl]oxy-7,7-dimethyl-4-(oxan-4-yl)spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-3-yl]-2-(trifluoromethyl)benzonitrile
CID 77227784
tert-butyl-[7,7-dimethyl-4-(oxan-4-yl)-3-[4-[tetrafluoro(methyl)-λ6-sulfanyl]phenyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane
CID 123313870
CID 77227705
CID 77227705
tert-butyl-[3-(4-tert-butylphenyl)-3'-ethyl-7,7-dimethyl-4-(oxan-4-yl)spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane
CID 123681622
tert-butyl-[7,7-dimethyl-4-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane
CID 77228051
tert-butyl-[(3R,9S)-3-(3-tert-butylphenyl)-4-cyclopentyl-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane
CID 66762178
CID 53467754
CID 53467754
(R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-iodo-7,7-dimethyl-2-(oxan-4-yl)-6,8-dihydro-5H-quinolin-3-yl]-[4-(trifluoromethyl)phenyl]methanol
CID 66761225
(S)-[(5S)-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-quinolin-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 66763038
(R)-[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-quinolin-3-yl]-[5-(trifluoromethyl)-2-pyridinyl]methanol
CID 66761763

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[7,7-dimethyl-4-(oxan-4-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[7,7-dimethyl-4-(oxan-4-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane (CID 77227929) is tert-butyl-[7,7-dimethyl-4-(oxan-4-yl)-3-[5-(trifluoromethyl)-2-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-[7,7-dimethyl-4-(oxan-4-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[7,7-dimethyl-4-(oxan-4-yl)-3-[5-(trifluoromethyl)-2-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)OC3c1ccc(C(F)(F)F)cn1.
What is the InChIKey of tert-butyl-[7,7-dimethyl-4-(oxan-4-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane?
The InChIKey is IPGQSEZDAJRPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47F3N2O4Si/c1-31(2,3)44(6,7)43-25-19-32(4,5)18-24-26(25)28-27(29(39-24)21-10-14-40-15-11-21)30(42-33(28)12-16-41-17-13-33)23-9-8-22(20-38-23)34(35,36)37/h8-9,20-21,25,30H,10-19H2,1-7H3.
What are the key properties of tert-butyl-[7,7-dimethyl-4-(oxan-4-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane?
tert-butyl-[7,7-dimethyl-4-(oxan-4-yl)-3-[5-(trifluoromethyl)-2-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-[7,7-dimethyl-4-(oxan-4-yl)-3-[5-(trifluoromethyl)-2-pyridinyl]spiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,4'-oxane]-9-yl]oxy-dimethylsilane is sourced from PubChem (CID 77227929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).