[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol

C33H49NO3Si — CID 66762971

About [(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol

[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol (PubChem CID 66762971) has the molecular formula C33H49NO3Si and a molecular weight of 535.85 g/mol. Its IUPAC name is [(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol.

Molecular Properties

• Compound Name: [(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol
• PubChem CID: 66762971
• Molecular Formula: C33H49NO3Si
• Molecular Weight: 535.85 g/mol
• Exact Mass: 535.35
• IUPAC Name: [(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol
• SMILES: CC(C)c1nc2c(c(C3=CCCC3)c1C(O)c1ccc(CO)cc1)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C2
• InChI: InChI=1S/C33H49NO3Si/c1-21(2)30-29(31(36)24-16-14-22(20-35)15-17-24)27(23-12-10-11-13-23)28-25(34-30)18-33(6,7)19-26(28)37-38(8,9)32(3,4)5/h12,14-17,21,26,31,35-36H,10-11,13,18-20H2,1-9H3/t26-,31?/m0/s1
• InChIKey: QCHFWZKLLJJWIG-PAMMARIWSA-N
• XLogP: 8.38
• TPSA: 62.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	535.85
LogP ≤ 5	8.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol?

The IUPAC name of [(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol (CID 66762971) is [(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol.

What is the SMILES notation for [(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol?

The canonical SMILES for [(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol is CC(C)c1nc2c(c(C3=CCCC3)c1C(O)c1ccc(CO)cc1)[C@@H](O[Si](C)(C)C(C)(C)C)CC(C)(C)C2.

What is the InChIKey of [(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol?

The InChIKey is QCHFWZKLLJJWIG-PAMMARIWSA-N. The full InChI is InChI=1S/C33H49NO3Si/c1-21(2)30-29(31(36)24-16-14-22(20-35)15-17-24)27(23-12-10-11-13-23)28-25(34-30)18-33(6,7)19-26(28)37-38(8,9)32(3,4)5/h12,14-17,21,26,31,35-36H,10-11,13,18-20H2,1-9H3/t26-,31?/m0/s1.

What are the key properties of [(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol?

[(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol has a molecular weight of 535.85 g/mol, XLogP of 8.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S)-5-[tert-butyl(dimethyl)silyl]oxy-4-(cyclopenten-1-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(hydroxymethyl)phenyl]methanol is sourced from PubChem (CID 66762971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).