tert-butyl-[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]spiro[1,5,7,8-tetrahydrofuro[3,4-b]quinoline-3,1'-cyclohexane]-8-yl]oxy-dimethylsilane

C36H50F3NO2Si — CID 58119722

IUPACtert-butyl-[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]spiro[1,5,7,8-tetrahydrofuro[3,4-b]quinoline-3,1'-cyclohexane]-8-yl]oxy-dimethylsilane
SMILESCC1(C)Cc2nc3c(c(C4CCCC4)c2[C@@H](O[Si](C)(C)C(C)(C)C)C1)C(c1ccc(C(F)(F)F)cc1)OC31CCCCC1
InChIInChI=1S/C36H50F3NO2Si/c1-33(2,3)43(6,7)42-27-22-34(4,5)21-26-29(27)28(23-13-9-10-14-23)30-31(24-15-17-25(18-16-24)36(37,38)39)41-35(32(30)40-26)19-11-8-12-20-35/h15-18,23,27,31H,8-14,19-22H2,1-7H3/t27-,31?/m0/s1
InChIKeySFOPMMIFTHKRRO-LMUZMDBKSA-N
MW613.88 g/mol
LogP11.07
Rot. Bonds4

About tert-butyl-[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]spiro[1,5,7,8-tetrahydrofuro[3,4-b]quinoline-3,1'-cyclohexane]-8-yl]oxy-dimethylsilane

tert-butyl-[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]spiro[1,5,7,8-tetrahydrofuro[3,4-b]quinoline-3,1'-cyclohexane]-8-yl]oxy-dimethylsilane (PubChem CID 58119722) has the molecular formula C36H50F3NO2Si and a molecular weight of 613.88 g/mol. Its IUPAC name is tert-butyl-[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]spiro[1,5,7,8-tetrahydrofuro[3,4-b]quinoline-3,1'-cyclohexane]-8-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]spiro[1,5,7,8-tetrahydrofuro[3,4-b]quinoline-3,1'-cyclohexane]-8-yl]oxy-dimethylsilane
PubChem CID58119722
Molecular FormulaC36H50F3NO2Si
Molecular Weight613.88 g/mol
Exact Mass613.36
IUPAC Nametert-butyl-[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]spiro[1,5,7,8-tetrahydrofuro[3,4-b]quinoline-3,1'-cyclohexane]-8-yl]oxy-dimethylsilane
SMILESCC1(C)Cc2nc3c(c(C4CCCC4)c2[C@@H](O[Si](C)(C)C(C)(C)C)C1)C(c1ccc(C(F)(F)F)cc1)OC31CCCCC1
InChIInChI=1S/C36H50F3NO2Si/c1-33(2,3)43(6,7)42-27-22-34(4,5)21-26-29(27)28(23-13-9-10-14-23)30-31(24-15-17-25(18-16-24)36(37,38)39)41-35(32(30)40-26)19-11-8-12-20-35/h15-18,23,27,31H,8-14,19-22H2,1-7H3/t27-,31?/m0/s1
InChIKeySFOPMMIFTHKRRO-LMUZMDBKSA-N
XLogP11.07
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.88
LogP ≤ 511.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]spiro[1,5,7,8-tetrahydrofuro[3,4-b]quinoline-3,1'-cyclohexane]-8-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]spiro[1,5,7,8-tetrahydrofuro[3,4-b]quinoline-3,1'-cyclohexane]-8-yl]oxy-dimethylsilane (CID 58119722) is tert-butyl-[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]spiro[1,5,7,8-tetrahydrofuro[3,4-b]quinoline-3,1'-cyclohexane]-8-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]spiro[1,5,7,8-tetrahydrofuro[3,4-b]quinoline-3,1'-cyclohexane]-8-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]spiro[1,5,7,8-tetrahydrofuro[3,4-b]quinoline-3,1'-cyclohexane]-8-yl]oxy-dimethylsilane is CC1(C)Cc2nc3c(c(C4CCCC4)c2[C@@H](O[Si](C)(C)C(C)(C)C)C1)C(c1ccc(C(F)(F)F)cc1)OC31CCCCC1.
What is the InChIKey of tert-butyl-[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]spiro[1,5,7,8-tetrahydrofuro[3,4-b]quinoline-3,1'-cyclohexane]-8-yl]oxy-dimethylsilane?
The InChIKey is SFOPMMIFTHKRRO-LMUZMDBKSA-N. The full InChI is InChI=1S/C36H50F3NO2Si/c1-33(2,3)43(6,7)42-27-22-34(4,5)21-26-29(27)28(23-13-9-10-14-23)30-31(24-15-17-25(18-16-24)36(37,38)39)41-35(32(30)40-26)19-11-8-12-20-35/h15-18,23,27,31H,8-14,19-22H2,1-7H3/t27-,31?/m0/s1.
What are the key properties of tert-butyl-[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]spiro[1,5,7,8-tetrahydrofuro[3,4-b]quinoline-3,1'-cyclohexane]-8-yl]oxy-dimethylsilane?
tert-butyl-[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]spiro[1,5,7,8-tetrahydrofuro[3,4-b]quinoline-3,1'-cyclohexane]-8-yl]oxy-dimethylsilane has a molecular weight of 613.88 g/mol, XLogP of 11.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]spiro[1,5,7,8-tetrahydrofuro[3,4-b]quinoline-3,1'-cyclohexane]-8-yl]oxy-dimethylsilane is sourced from PubChem (CID 58119722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).