N-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[tert-butyl(diphenyl)silyl]oxymethanimine oxide

C29H39NO7Si — CID 177497464

About N-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[tert-butyl(diphenyl)silyl]oxymethanimine oxide

N-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[tert-butyl(diphenyl)silyl]oxymethanimine oxide (PubChem CID 177497464) has the molecular formula C29H39NO7Si and a molecular weight of 541.72 g/mol. Its IUPAC name is N-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[tert-butyl(diphenyl)silyl]oxymethanimine oxide.

Molecular Properties

• Compound Name: N-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[tert-butyl(diphenyl)silyl]oxymethanimine oxide
• PubChem CID: 177497464
• Molecular Formula: C29H39NO7Si
• Molecular Weight: 541.72 g/mol
• Exact Mass: 541.25
• IUPAC Name: N-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[tert-butyl(diphenyl)silyl]oxymethanimine oxide
• SMILES: CC1(C)O[C@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@H](/[N+]([O-])=C/O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1
• InChI: InChI=1S/C29H39NO7Si/c1-27(2,3)38(20-14-10-8-11-15-20,21-16-12-9-13-17-21)33-19-30(31)26-25-24(36-29(6,7)37-25)23(34-26)22-18-32-28(4,5)35-22/h8-17,19,22-26H,18H2,1-7H3/b30-19-/t22-,23+,24-,25-,26-/m0/s1
• InChIKey: JDPRUATYDDQIMI-CBQHTLOVSA-N
• XLogP: 3.50
• TPSA: 81.45 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.72
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[tert-butyl(diphenyl)silyl]oxymethanimine oxide?

The IUPAC name of N-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[tert-butyl(diphenyl)silyl]oxymethanimine oxide (CID 177497464) is N-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[tert-butyl(diphenyl)silyl]oxymethanimine oxide.

What is the SMILES notation for N-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[tert-butyl(diphenyl)silyl]oxymethanimine oxide?

The canonical SMILES for N-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[tert-butyl(diphenyl)silyl]oxymethanimine oxide is CC1(C)O[C@H]2[C@@H]([C@@H]3COC(C)(C)O3)O[C@H](/[N+]([O-])=C/O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)[C@H]2O1.

What is the InChIKey of N-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[tert-butyl(diphenyl)silyl]oxymethanimine oxide?

The InChIKey is JDPRUATYDDQIMI-CBQHTLOVSA-N. The full InChI is InChI=1S/C29H39NO7Si/c1-27(2,3)38(20-14-10-8-11-15-20,21-16-12-9-13-17-21)33-19-30(31)26-25-24(36-29(6,7)37-25)23(34-26)22-18-32-28(4,5)35-22/h8-17,19,22-26H,18H2,1-7H3/b30-19-/t22-,23+,24-,25-,26-/m0/s1.

What are the key properties of N-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[tert-butyl(diphenyl)silyl]oxymethanimine oxide?

N-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[tert-butyl(diphenyl)silyl]oxymethanimine oxide has a molecular weight of 541.72 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3aS,4S,6R,6aS)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1-[tert-butyl(diphenyl)silyl]oxymethanimine oxide is sourced from PubChem (CID 177497464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).