tert-butyl-[(3R,9S)-4-cyclopentyl-3-(4-fluorophenyl)-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane

C34H48FNO2Si — CID 66761585

IUPACtert-butyl-[(3R,9S)-4-cyclopentyl-3-(4-fluorophenyl)-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane
SMILESCC1(C)Cc2nc(C3CCCC3)c3c(c2[C@@H](O[Si](C)(C)C(C)(C)C)C1)C1(CCCC1)O[C@@H]3c1ccc(F)cc1
InChIInChI=1S/C34H48FNO2Si/c1-32(2,3)39(6,7)38-26-21-33(4,5)20-25-27(26)29-28(30(36-25)22-12-8-9-13-22)31(23-14-16-24(35)17-15-23)37-34(29)18-10-11-19-34/h14-17,22,26,31H,8-13,18-21H2,1-7H3/t26-,31+/m0/s1
InChIKeyQFIJCGLGCJEXDK-SUYBVONHSA-N
MW549.85 g/mol
LogP9.80
Rot. Bonds4

About tert-butyl-[(3R,9S)-4-cyclopentyl-3-(4-fluorophenyl)-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane

tert-butyl-[(3R,9S)-4-cyclopentyl-3-(4-fluorophenyl)-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane (PubChem CID 66761585) has the molecular formula C34H48FNO2Si and a molecular weight of 549.85 g/mol. Its IUPAC name is tert-butyl-[(3R,9S)-4-cyclopentyl-3-(4-fluorophenyl)-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(3R,9S)-4-cyclopentyl-3-(4-fluorophenyl)-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane
PubChem CID66761585
Molecular FormulaC34H48FNO2Si
Molecular Weight549.85 g/mol
Exact Mass549.34
IUPAC Nametert-butyl-[(3R,9S)-4-cyclopentyl-3-(4-fluorophenyl)-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane
SMILESCC1(C)Cc2nc(C3CCCC3)c3c(c2[C@@H](O[Si](C)(C)C(C)(C)C)C1)C1(CCCC1)O[C@@H]3c1ccc(F)cc1
InChIInChI=1S/C34H48FNO2Si/c1-32(2,3)39(6,7)38-26-21-33(4,5)20-25-27(26)29-28(30(36-25)22-12-8-9-13-22)31(23-14-16-24(35)17-15-23)37-34(29)18-10-11-19-34/h14-17,22,26,31H,8-13,18-21H2,1-7H3/t26-,31+/m0/s1
InChIKeyQFIJCGLGCJEXDK-SUYBVONHSA-N
XLogP9.80
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.85
LogP ≤ 59.80
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)-4-cyclopentyl-3-(4-fluorophenyl)-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(3R,9S)-4-cyclopentyl-3-(4-fluorophenyl)-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane?
The IUPAC name of tert-butyl-[(3R,9S)-4-cyclopentyl-3-(4-fluorophenyl)-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane (CID 66761585) is tert-butyl-[(3R,9S)-4-cyclopentyl-3-(4-fluorophenyl)-7,7-dimethylspiro[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)-4-cyclopentyl-3-(4-fluorophenyl)-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane?
The canonical SMILES for tert-butyl-[(3R,9S)-4-cyclopentyl-3-(4-fluorophenyl)-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane is CC1(C)Cc2nc(C3CCCC3)c3c(c2[C@@H](O[Si](C)(C)C(C)(C)C)C1)C1(CCCC1)O[C@@H]3c1ccc(F)cc1.
What is the InChIKey of tert-butyl-[(3R,9S)-4-cyclopentyl-3-(4-fluorophenyl)-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane?
The InChIKey is QFIJCGLGCJEXDK-SUYBVONHSA-N. The full InChI is InChI=1S/C34H48FNO2Si/c1-32(2,3)39(6,7)38-26-21-33(4,5)20-25-27(26)29-28(30(36-25)22-12-8-9-13-22)31(23-14-16-24(35)17-15-23)37-34(29)18-10-11-19-34/h14-17,22,26,31H,8-13,18-21H2,1-7H3/t26-,31+/m0/s1.
What are the key properties of tert-butyl-[(3R,9S)-4-cyclopentyl-3-(4-fluorophenyl)-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane?
tert-butyl-[(3R,9S)-4-cyclopentyl-3-(4-fluorophenyl)-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane has a molecular weight of 549.85 g/mol, XLogP of 9.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(3R,9S)-4-cyclopentyl-3-(4-fluorophenyl)-7,7-dimethylspiro[3,6,8,9-tetrahydrofuro[3,4-c]quinoline-1,1'-cyclopentane]-9-yl]oxy-dimethylsilane is sourced from PubChem (CID 66761585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).