N-benzyl-1-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]methanimine oxide

C19H31NO4Si — CID 11337525

About N-benzyl-1-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]methanimine oxide

N-benzyl-1-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]methanimine oxide (PubChem CID 11337525) has the molecular formula C19H31NO4Si and a molecular weight of 365.55 g/mol. Its IUPAC name is N-benzyl-1-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]methanimine oxide.

Molecular Properties

• Compound Name: N-benzyl-1-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]methanimine oxide
• PubChem CID: 11337525
• Molecular Formula: C19H31NO4Si
• Molecular Weight: 365.55 g/mol
• Exact Mass: 365.20
• IUPAC Name: N-benzyl-1-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]methanimine oxide
• SMILES: C[C@@H]1OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=[N+](\[O-])Cc2ccccc2)O1
• InChI: InChI=1S/C19H31NO4Si/c1-15-22-14-18(24-25(5,6)19(2,3)4)17(23-15)13-20(21)12-16-10-8-7-9-11-16/h7-11,13,15,17-18H,12,14H2,1-6H3/b20-13-/t15-,17+,18-/m1/s1
• InChIKey: RIWRYMWQTUVNJO-OVVVVYFXSA-N
• XLogP: 3.92
• TPSA: 53.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.55
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]methanimine oxide?

The IUPAC name of N-benzyl-1-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]methanimine oxide (CID 11337525) is N-benzyl-1-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]methanimine oxide.

What is the SMILES notation for N-benzyl-1-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]methanimine oxide?

The canonical SMILES for N-benzyl-1-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]methanimine oxide is C[C@@H]1OC[C@@H](O[Si](C)(C)C(C)(C)C)[C@H](/C=[N+](\[O-])Cc2ccccc2)O1.

What is the InChIKey of N-benzyl-1-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]methanimine oxide?

The InChIKey is RIWRYMWQTUVNJO-OVVVVYFXSA-N. The full InChI is InChI=1S/C19H31NO4Si/c1-15-22-14-18(24-25(5,6)19(2,3)4)17(23-15)13-20(21)12-16-10-8-7-9-11-16/h7-11,13,15,17-18H,12,14H2,1-6H3/b20-13-/t15-,17+,18-/m1/s1.

What are the key properties of N-benzyl-1-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]methanimine oxide?

N-benzyl-1-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]methanimine oxide has a molecular weight of 365.55 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-1-[(2R,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-1,3-dioxan-4-yl]methanimine oxide is sourced from PubChem (CID 11337525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).