(R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(3-methyloxetan-3-yl)phenyl]methanol

C36H53NO4Si — CID 66762862

About (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(3-methyloxetan-3-yl)phenyl]methanol

(R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(3-methyloxetan-3-yl)phenyl]methanol (PubChem CID 66762862) has the molecular formula C36H53NO4Si and a molecular weight of 591.91 g/mol. Its IUPAC name is (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(3-methyloxetan-3-yl)phenyl]methanol.

Molecular Properties

• Compound Name: (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(3-methyloxetan-3-yl)phenyl]methanol
• PubChem CID: 66762862
• Molecular Formula: C36H53NO4Si
• Molecular Weight: 591.91 g/mol
• Exact Mass: 591.37
• IUPAC Name: (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(3-methyloxetan-3-yl)phenyl]methanol
• SMILES: CC(C)c1nc2c(c(C3=CCOCC3)c1[C@H](O)c1ccc(C3(C)COC3)cc1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2
• InChI: InChI=1S/C36H53NO4Si/c1-23(2)32-31(33(38)25-11-13-26(14-12-25)36(8)21-40-22-36)29(24-15-17-39-18-16-24)30-27(37-32)19-35(6,7)20-28(30)41-42(9,10)34(3,4)5/h11-15,23,28,33,38H,16-22H2,1-10H3/t28?,33-/m1/s1
• InChIKey: LBEIIMSNPHOCMM-ZBAKNJOASA-N
• XLogP: 8.41
• TPSA: 60.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.91
LogP ≤ 5	8.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(3-methyloxetan-3-yl)phenyl]methanol (CID 66762862) is (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(3-methyloxetan-3-yl)phenyl]methanol.

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

The canonical SMILES for (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(3-methyloxetan-3-yl)phenyl]methanol is CC(C)c1nc2c(c(C3=CCOCC3)c1[C@H](O)c1ccc(C3(C)COC3)cc1)C(O[Si](C)(C)C(C)(C)C)CC(C)(C)C2.

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

The InChIKey is LBEIIMSNPHOCMM-ZBAKNJOASA-N. The full InChI is InChI=1S/C36H53NO4Si/c1-23(2)32-31(33(38)25-11-13-26(14-12-25)36(8)21-40-22-36)29(24-15-17-39-18-16-24)30-27(37-32)19-35(6,7)20-28(30)41-42(9,10)34(3,4)5/h11-15,23,28,33,38H,16-22H2,1-10H3/t28?,33-/m1/s1.

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

(R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(3-methyloxetan-3-yl)phenyl]methanol has a molecular weight of 591.91 g/mol, XLogP of 8.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (R)-[5-[tert-butyl(dimethyl)silyl]oxy-4-(3,6-dihydro-2H-pyran-4-yl)-7,7-dimethyl-2-propan-2-yl-6,8-dihydro-5H-quinolin-3-yl]-[4-(3-methyloxetan-3-yl)phenyl]methanol is sourced from PubChem (CID 66762862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).