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

C32H44F3NO3Si — CID 58119782

IUPACtert-butyl-dimethyl-[[(8S)-3,6,6-trimethyl-9-(oxan-4-yl)-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]silane
SMILESCC1OC(c2ccc(C(F)(F)F)cc2)c2c1nc1c(c2C2CCOCC2)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C32H44F3NO3Si/c1-19-28-27(29(38-19)21-9-11-22(12-10-21)32(33,34)35)25(20-13-15-37-16-14-20)26-23(36-28)17-31(5,6)18-24(26)39-40(7,8)30(2,3)4/h9-12,19-20,24,29H,13-18H2,1-8H3/t19?,24-,29?/m0/s1
InChIKeyDDYXCXZQIXQFLT-QQXYLRSHSA-N
MW575.79 g/mol
LogP9.21
Rot. Bonds4

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

tert-butyl-dimethyl-[[(8S)-3,6,6-trimethyl-9-(oxan-4-yl)-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]silane (PubChem CID 58119782) has the molecular formula C32H44F3NO3Si and a molecular weight of 575.79 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[(8S)-3,6,6-trimethyl-9-(oxan-4-yl)-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[(8S)-3,6,6-trimethyl-9-(oxan-4-yl)-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]silane
PubChem CID58119782
Molecular FormulaC32H44F3NO3Si
Molecular Weight575.79 g/mol
Exact Mass575.30
IUPAC Nametert-butyl-dimethyl-[[(8S)-3,6,6-trimethyl-9-(oxan-4-yl)-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]silane
SMILESCC1OC(c2ccc(C(F)(F)F)cc2)c2c1nc1c(c2C2CCOCC2)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C1
InChIInChI=1S/C32H44F3NO3Si/c1-19-28-27(29(38-19)21-9-11-22(12-10-21)32(33,34)35)25(20-13-15-37-16-14-20)26-23(36-28)17-31(5,6)18-24(26)39-40(7,8)30(2,3)4/h9-12,19-20,24,29H,13-18H2,1-8H3/t19?,24-,29?/m0/s1
InChIKeyDDYXCXZQIXQFLT-QQXYLRSHSA-N
XLogP9.21
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.79
LogP ≤ 59.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-dimethyl-[[(8S)-3,6,6-trimethyl-9-(oxan-4-yl)-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[(8S)-3,6,6-trimethyl-9-(oxan-4-yl)-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]silane (CID 58119782) is tert-butyl-dimethyl-[[(8S)-3,6,6-trimethyl-9-(oxan-4-yl)-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[(8S)-3,6,6-trimethyl-9-(oxan-4-yl)-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[(8S)-3,6,6-trimethyl-9-(oxan-4-yl)-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]silane is CC1OC(c2ccc(C(F)(F)F)cc2)c2c1nc1c(c2C2CCOCC2)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C1.
What is the InChIKey of tert-butyl-dimethyl-[[(8S)-3,6,6-trimethyl-9-(oxan-4-yl)-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]silane?
The InChIKey is DDYXCXZQIXQFLT-QQXYLRSHSA-N. The full InChI is InChI=1S/C32H44F3NO3Si/c1-19-28-27(29(38-19)21-9-11-22(12-10-21)32(33,34)35)25(20-13-15-37-16-14-20)26-23(36-28)17-31(5,6)18-24(26)39-40(7,8)30(2,3)4/h9-12,19-20,24,29H,13-18H2,1-8H3/t19?,24-,29?/m0/s1.
What are the key properties of tert-butyl-dimethyl-[[(8S)-3,6,6-trimethyl-9-(oxan-4-yl)-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]silane?
tert-butyl-dimethyl-[[(8S)-3,6,6-trimethyl-9-(oxan-4-yl)-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]silane has a molecular weight of 575.79 g/mol, XLogP of 9.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[(8S)-3,6,6-trimethyl-9-(oxan-4-yl)-1-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydro-1H-furo[3,4-b]quinolin-8-yl]oxy]silane is sourced from PubChem (CID 58119782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).