[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]methanol

C30H42FNO2Si — CID 20586691

About [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]methanol

[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]methanol (PubChem CID 20586691) has the molecular formula C30H42FNO2Si and a molecular weight of 495.76 g/mol. Its IUPAC name is [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]methanol.

Molecular Properties

• Compound Name: [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]methanol
• PubChem CID: 20586691
• Molecular Formula: C30H42FNO2Si
• Molecular Weight: 495.76 g/mol
• Exact Mass: 495.30
• IUPAC Name: [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]methanol
• SMILES: CC(C)(C)[Si](C)(C)OC1CC2(CCC2)Cc2nc(C3CCCC3)c(CO)c(-c3ccc(F)cc3)c21
• InChI: InChI=1S/C30H42FNO2Si/c1-29(2,3)35(4,5)34-25-18-30(15-8-16-30)17-24-27(25)26(20-11-13-22(31)14-12-20)23(19-33)28(32-24)21-9-6-7-10-21/h11-14,21,25,33H,6-10,15-19H2,1-5H3
• InChIKey: FQRIBABMCUPWEO-UHFFFAOYSA-N
• XLogP: 8.22
• TPSA: 42.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.76
LogP ≤ 5	8.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]methanol?

The IUPAC name of [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]methanol (CID 20586691) is [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]methanol.

What is the SMILES notation for [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]methanol?

The canonical SMILES for [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]methanol is CC(C)(C)[Si](C)(C)OC1CC2(CCC2)Cc2nc(C3CCCC3)c(CO)c(-c3ccc(F)cc3)c21.

What is the InChIKey of [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]methanol?

The InChIKey is FQRIBABMCUPWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42FNO2Si/c1-29(2,3)35(4,5)34-25-18-30(15-8-16-30)17-24-27(25)26(20-11-13-22(31)14-12-20)23(19-33)28(32-24)21-9-6-7-10-21/h11-14,21,25,33H,6-10,15-19H2,1-5H3.

What are the key properties of [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]methanol?

[5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]methanol has a molecular weight of 495.76 g/mol, XLogP of 8.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[tert-butyl(dimethyl)silyl]oxy-2-cyclopentyl-4-(4-fluorophenyl)spiro[6,8-dihydro-5H-quinoline-7,1'-cyclobutane]-3-yl]methanol is sourced from PubChem (CID 20586691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).