(6R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one

C27H35Cl2NO3Si — CID 140700551

About (6R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one

(6R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one (PubChem CID 140700551) has the molecular formula C27H35Cl2NO3Si and a molecular weight of 520.57 g/mol. Its IUPAC name is (6R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one.

Molecular Properties

• Compound Name: (6R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one
• PubChem CID: 140700551
• Molecular Formula: C27H35Cl2NO3Si
• Molecular Weight: 520.57 g/mol
• Exact Mass: 519.18
• IUPAC Name: (6R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one
• SMILES: CC(C)(C)[Si](C)(C)OC[C@H](C1CC1)N1C(=O)CO[C@H](c2cccc(Cl)c2)C1c1ccc(Cl)cc1
• InChI: InChI=1S/C27H35Cl2NO3Si/c1-27(2,3)34(4,5)33-16-23(18-9-10-18)30-24(31)17-32-26(20-7-6-8-22(29)15-20)25(30)19-11-13-21(28)14-12-19/h6-8,11-15,18,23,25-26H,9-10,16-17H2,1-5H3/t23-,25?,26-/m1/s1
• InChIKey: OPWDCCXVGNVGKB-UVAYFRITSA-N
• XLogP: 7.43
• TPSA: 38.77 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.57
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	0
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 (6R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one?

The IUPAC name of (6R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one (CID 140700551) is (6R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one.

What is the SMILES notation for (6R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one?

The canonical SMILES for (6R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one is CC(C)(C)[Si](C)(C)OC[C@H](C1CC1)N1C(=O)CO[C@H](c2cccc(Cl)c2)C1c1ccc(Cl)cc1.

What is the InChIKey of (6R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one?

The InChIKey is OPWDCCXVGNVGKB-UVAYFRITSA-N. The full InChI is InChI=1S/C27H35Cl2NO3Si/c1-27(2,3)34(4,5)33-16-23(18-9-10-18)30-24(31)17-32-26(20-7-6-8-22(29)15-20)25(30)19-11-13-21(28)14-12-19/h6-8,11-15,18,23,25-26H,9-10,16-17H2,1-5H3/t23-,25?,26-/m1/s1.

What are the key properties of (6R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one?

(6R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one has a molecular weight of 520.57 g/mol, XLogP of 7.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-4-[(1S)-2-[tert-butyl(dimethyl)silyl]oxy-1-cyclopropylethyl]-6-(3-chlorophenyl)-5-(4-chlorophenyl)morpholin-3-one is sourced from PubChem (CID 140700551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).