tert-butyl-[[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane

C31H42F3NO2Si — CID 58119711

IUPACtert-butyl-[[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-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)OC3
InChIInChI=1S/C31H42F3NO2Si/c1-29(2,3)38(6,7)37-24-17-30(4,5)16-22-26(24)25(19-10-8-9-11-19)27-23(35-22)18-36-28(27)20-12-14-21(15-13-20)31(32,33)34/h12-15,19,24,28H,8-11,16-18H2,1-7H3/t24-,28?/m0/s1
InChIKeyVILNJMYSLNVQOX-ZZDYIDRTSA-N
MW545.76 g/mol
LogP9.41
Rot. Bonds4

About tert-butyl-[[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane

tert-butyl-[[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane (PubChem CID 58119711) has the molecular formula C31H42F3NO2Si and a molecular weight of 545.76 g/mol. Its IUPAC name is tert-butyl-[[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane
PubChem CID58119711
Molecular FormulaC31H42F3NO2Si
Molecular Weight545.76 g/mol
Exact Mass545.29
IUPAC Nametert-butyl-[[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-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)OC3
InChIInChI=1S/C31H42F3NO2Si/c1-29(2,3)38(6,7)37-24-17-30(4,5)16-22-26(24)25(19-10-8-9-11-19)27-23(35-22)18-36-28(27)20-12-14-21(15-13-20)31(32,33)34/h12-15,19,24,28H,8-11,16-18H2,1-7H3/t24-,28?/m0/s1
InChIKeyVILNJMYSLNVQOX-ZZDYIDRTSA-N
XLogP9.41
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.76
LogP ≤ 59.41
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]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane (CID 58119711) is tert-butyl-[[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-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)OC3.
What is the InChIKey of tert-butyl-[[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane?
The InChIKey is VILNJMYSLNVQOX-ZZDYIDRTSA-N. The full InChI is InChI=1S/C31H42F3NO2Si/c1-29(2,3)38(6,7)37-24-17-30(4,5)16-22-26(24)25(19-10-8-9-11-19)27-23(35-22)18-36-28(27)20-12-14-21(15-13-20)31(32,33)34/h12-15,19,24,28H,8-11,16-18H2,1-7H3/t24-,28?/m0/s1.
What are the key properties of tert-butyl-[[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane?
tert-butyl-[[(8S)-9-cyclopentyl-6,6-dimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane has a molecular weight of 545.76 g/mol, XLogP of 9.41, 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]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane is sourced from PubChem (CID 58119711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).