N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-ethoxy-2-oxoethanimine oxide

C28H37NO7Si — CID 11307054

About N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-ethoxy-2-oxoethanimine oxide

N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-ethoxy-2-oxoethanimine oxide (PubChem CID 11307054) has the molecular formula C28H37NO7Si and a molecular weight of 527.69 g/mol. Its IUPAC name is N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-ethoxy-2-oxoethanimine oxide.

Molecular Properties

• Compound Name: N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-ethoxy-2-oxoethanimine oxide
• PubChem CID: 11307054
• Molecular Formula: C28H37NO7Si
• Molecular Weight: 527.69 g/mol
• Exact Mass: 527.23
• IUPAC Name: N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-ethoxy-2-oxoethanimine oxide
• SMILES: CCOC(=O)/C=[N+](/[O-])[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21
• InChI: InChI=1S/C28H37NO7Si/c1-7-32-23(30)18-29(31)26-25-24(35-28(5,6)36-25)22(34-26)19-33-37(27(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-18,22,24-26H,7,19H2,1-6H3/b29-18+/t22-,24-,25-,26-/m1/s1
• InChIKey: BEKJQMUDAYRHQJ-WLADZFDOSA-N
• XLogP: 2.95
• TPSA: 89.29 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.69
LogP ≤ 5	2.95
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': '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-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-ethoxy-2-oxoethanimine oxide?

The IUPAC name of N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-ethoxy-2-oxoethanimine oxide (CID 11307054) is N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-ethoxy-2-oxoethanimine oxide.

What is the SMILES notation for N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-ethoxy-2-oxoethanimine oxide?

The canonical SMILES for N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-ethoxy-2-oxoethanimine oxide is CCOC(=O)/C=[N+](/[O-])[C@@H]1O[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]2OC(C)(C)O[C@H]21.

What is the InChIKey of N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-ethoxy-2-oxoethanimine oxide?

The InChIKey is BEKJQMUDAYRHQJ-WLADZFDOSA-N. The full InChI is InChI=1S/C28H37NO7Si/c1-7-32-23(30)18-29(31)26-25-24(35-28(5,6)36-25)22(34-26)19-33-37(27(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-18,22,24-26H,7,19H2,1-6H3/b29-18+/t22-,24-,25-,26-/m1/s1.

What are the key properties of N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-ethoxy-2-oxoethanimine oxide?

N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-ethoxy-2-oxoethanimine oxide has a molecular weight of 527.69 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3aR,4R,6R,6aR)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-2-ethoxy-2-oxoethanimine oxide is sourced from PubChem (CID 11307054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).