tert-butyl-[(3R,9S)-7,7-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane

C32H46F5NO2SSi — CID 88579814

IUPACtert-butyl-[(3R,9S)-7,7-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane
SMILESCC(C)c1nc2c(c3c1[C@@H](c1ccc(S(F)(F)(F)(F)F)cc1)OC31CCCC1)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C2
InChIInChI=1S/C32H46F5NO2SSi/c1-20(2)28-26-27(25-23(38-28)18-31(6,7)19-24(25)40-42(8,9)30(3,4)5)32(16-10-11-17-32)39-29(26)21-12-14-22(15-13-21)41(33,34,35,36)37/h12-15,20,24,29H,10-11,16-19H2,1-9H3/t24-,29+/m0/s1
InChIKeyNBDILJMEEDYYFX-PWUYWRBVSA-N
MW631.87 g/mol
LogP11.79
Rot. Bonds5

About tert-butyl-[(3R,9S)-7,7-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane

tert-butyl-[(3R,9S)-7,7-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane (PubChem CID 88579814) has the molecular formula C32H46F5NO2SSi and a molecular weight of 631.87 g/mol. Its IUPAC name is tert-butyl-[(3R,9S)-7,7-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,9S)-7,7-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane
PubChem CID88579814
Molecular FormulaC32H46F5NO2SSi
Molecular Weight631.87 g/mol
Exact Mass631.29
IUPAC Nametert-butyl-[(3R,9S)-7,7-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane
SMILESCC(C)c1nc2c(c3c1[C@@H](c1ccc(S(F)(F)(F)(F)F)cc1)OC31CCCC1)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C2
InChIInChI=1S/C32H46F5NO2SSi/c1-20(2)28-26-27(25-23(38-28)18-31(6,7)19-24(25)40-42(8,9)30(3,4)5)32(16-10-11-17-32)39-29(26)21-12-14-22(15-13-21)41(33,34,35,36)37/h12-15,20,24,29H,10-11,16-19H2,1-9H3/t24-,29+/m0/s1
InChIKeyNBDILJMEEDYYFX-PWUYWRBVSA-N
XLogP11.79
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.87
LogP ≤ 511.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl-[(3R,9S)-7,7-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,9S)-7,7-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,9S)-7,7-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane (CID 88579814) is tert-butyl-[(3R,9S)-7,7-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane.
What is the SMILES notation for tert-butyl-[(3R,9S)-7,7-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,9S)-7,7-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane is CC(C)c1nc2c(c3c1[C@@H](c1ccc(S(F)(F)(F)(F)F)cc1)OC31CCCC1)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C2.
What is the InChIKey of tert-butyl-[(3R,9S)-7,7-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane?
The InChIKey is NBDILJMEEDYYFX-PWUYWRBVSA-N. The full InChI is InChI=1S/C32H46F5NO2SSi/c1-20(2)28-26-27(25-23(38-28)18-31(6,7)19-24(25)40-42(8,9)30(3,4)5)32(16-10-11-17-32)39-29(26)21-12-14-22(15-13-21)41(33,34,35,36)37/h12-15,20,24,29H,10-11,16-19H2,1-9H3/t24-,29+/m0/s1.
What are the key properties of tert-butyl-[(3R,9S)-7,7-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane?
tert-butyl-[(3R,9S)-7,7-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane has a molecular weight of 631.87 g/mol, XLogP of 11.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,9S)-7,7-dimethyl-3-[4-(pentafluoro-λ6-sulfanyl)phenyl]-4-propan-2-ylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane is sourced from PubChem (CID 88579814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).