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

C32H44F3NO2Si — CID 58119708

IUPACtert-butyl-[[(8S)-9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane
SMILESCC1OC(c2ccc(C(F)(F)F)cc2)c2c1nc1c(c2C2CCCC2)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C32H44F3NO2Si/c1-19-28-27(29(37-19)21-13-15-22(16-14-21)32(33,34)35)25(20-11-9-10-12-20)26-23(36-28)17-31(5,6)18-24(26)38-39(7,8)30(2,3)4/h13-16,19-20,24,29H,9-12,17-18H2,1-8H3/t19?,24-,29?/m0/s1
InChIKeyWCFMXIGAPAETOS-QQXYLRSHSA-N
MW559.79 g/mol
LogP9.97
Rot. Bonds4

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

tert-butyl-[[(8S)-9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane (PubChem CID 58119708) has the molecular formula C32H44F3NO2Si and a molecular weight of 559.79 g/mol. Its IUPAC name is tert-butyl-[[(8S)-9-cyclopentyl-3,6,6-trimethyl-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-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane
PubChem CID58119708
Molecular FormulaC32H44F3NO2Si
Molecular Weight559.79 g/mol
Exact Mass559.31
IUPAC Nametert-butyl-[[(8S)-9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane
SMILESCC1OC(c2ccc(C(F)(F)F)cc2)c2c1nc1c(c2C2CCCC2)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C32H44F3NO2Si/c1-19-28-27(29(37-19)21-13-15-22(16-14-21)32(33,34)35)25(20-11-9-10-12-20)26-23(36-28)17-31(5,6)18-24(26)38-39(7,8)30(2,3)4/h13-16,19-20,24,29H,9-12,17-18H2,1-8H3/t19?,24-,29?/m0/s1
InChIKeyWCFMXIGAPAETOS-QQXYLRSHSA-N
XLogP9.97
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.79
LogP ≤ 59.97
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-3,6,6-trimethyl-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-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane (CID 58119708) is tert-butyl-[[(8S)-9-cyclopentyl-3,6,6-trimethyl-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-3,6,6-trimethyl-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-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane is CC1OC(c2ccc(C(F)(F)F)cc2)c2c1nc1c(c2C2CCCC2)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C1.
What is the InChIKey of tert-butyl-[[(8S)-9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane?
The InChIKey is WCFMXIGAPAETOS-QQXYLRSHSA-N. The full InChI is InChI=1S/C32H44F3NO2Si/c1-19-28-27(29(37-19)21-13-15-22(16-14-21)32(33,34)35)25(20-11-9-10-12-20)26-23(36-28)17-31(5,6)18-24(26)38-39(7,8)30(2,3)4/h13-16,19-20,24,29H,9-12,17-18H2,1-8H3/t19?,24-,29?/m0/s1.
What are the key properties of tert-butyl-[[(8S)-9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane?
tert-butyl-[[(8S)-9-cyclopentyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane has a molecular weight of 559.79 g/mol, XLogP of 9.97, 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-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane is sourced from PubChem (CID 58119708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).