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

C33H46F3NO2Si — CID 58119729

IUPACtert-butyl-[[(8S)-9-cyclohexyl-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(c2C2CCCCC2)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C33H46F3NO2Si/c1-20-29-28(30(38-20)22-14-16-23(17-15-22)33(34,35)36)26(21-12-10-9-11-13-21)27-24(37-29)18-32(5,6)19-25(27)39-40(7,8)31(2,3)4/h14-17,20-21,25,30H,9-13,18-19H2,1-8H3/t20?,25-,30?/m0/s1
InChIKeyIDWIEBYLDNOQKH-URTLEEMISA-N
MW573.82 g/mol
LogP10.36
Rot. Bonds4

About tert-butyl-[[(8S)-9-cyclohexyl-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-cyclohexyl-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 58119729) has the molecular formula C33H46F3NO2Si and a molecular weight of 573.82 g/mol. Its IUPAC name is tert-butyl-[[(8S)-9-cyclohexyl-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-cyclohexyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane
PubChem CID58119729
Molecular FormulaC33H46F3NO2Si
Molecular Weight573.82 g/mol
Exact Mass573.32
IUPAC Nametert-butyl-[[(8S)-9-cyclohexyl-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(c2C2CCCCC2)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C33H46F3NO2Si/c1-20-29-28(30(38-20)22-14-16-23(17-15-22)33(34,35)36)26(21-12-10-9-11-13-21)27-24(37-29)18-32(5,6)19-25(27)39-40(7,8)31(2,3)4/h14-17,20-21,25,30H,9-13,18-19H2,1-8H3/t20?,25-,30?/m0/s1
InChIKeyIDWIEBYLDNOQKH-URTLEEMISA-N
XLogP10.36
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.82
LogP ≤ 510.36
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-cyclohexyl-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-cyclohexyl-3,6,6-trimethyl-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]-dimethylsilane (CID 58119729) is tert-butyl-[[(8S)-9-cyclohexyl-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-cyclohexyl-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-cyclohexyl-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(c2C2CCCCC2)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C1.
What is the InChIKey of tert-butyl-[[(8S)-9-cyclohexyl-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 IDWIEBYLDNOQKH-URTLEEMISA-N. The full InChI is InChI=1S/C33H46F3NO2Si/c1-20-29-28(30(38-20)22-14-16-23(17-15-22)33(34,35)36)26(21-12-10-9-11-13-21)27-24(37-29)18-32(5,6)19-25(27)39-40(7,8)31(2,3)4/h14-17,20-21,25,30H,9-13,18-19H2,1-8H3/t20?,25-,30?/m0/s1.
What are the key properties of tert-butyl-[[(8S)-9-cyclohexyl-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-cyclohexyl-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 573.82 g/mol, XLogP of 10.36, 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-cyclohexyl-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 58119729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).