N-methoxy-1,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-imine

C37H89NO11Si8 — CID 91754085

About N-methoxy-1,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-imine

N-methoxy-1,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-imine (PubChem CID 91754085) has the molecular formula C37H89NO11Si8 and a molecular weight of 948.80 g/mol. Its IUPAC name is N-methoxy-1,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-imine.

Molecular Properties

• Compound Name: N-methoxy-1,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-imine
• PubChem CID: 91754085
• Molecular Formula: C37H89NO11Si8
• Molecular Weight: 948.80 g/mol
• Exact Mass: 947.46
• IUPAC Name: N-methoxy-1,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-imine
• SMILES: CON=C(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C
• InChI: InChI=1S/C37H89NO11Si8/c1-39-38-29(26-40-50(2,3)4)32(46-54(14,15)16)33(31(45-53(11,12)13)28-42-52(8,9)10)44-37-36(49-57(23,24)25)35(48-56(20,21)22)34(47-55(17,18)19)30(43-37)27-41-51(5,6)7/h30-37H,26-28H2,1-25H3
• InChIKey: JALQSBKJXHFAJP-UHFFFAOYSA-N
• XLogP: 9.75
• TPSA: 113.89 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 25
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	948.80
LogP ≤ 5	9.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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'}

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-imine?

The IUPAC name of N-methoxy-1,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-imine (CID 91754085) is N-methoxy-1,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-imine.

What is the SMILES notation for N-methoxy-1,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-imine?

The canonical SMILES for N-methoxy-1,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-imine is CON=C(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C)C(CO[Si](C)(C)C)O[Si](C)(C)C.

What is the InChIKey of N-methoxy-1,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-imine?

The InChIKey is JALQSBKJXHFAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H89NO11Si8/c1-39-38-29(26-40-50(2,3)4)32(46-54(14,15)16)33(31(45-53(11,12)13)28-42-52(8,9)10)44-37-36(49-57(23,24)25)35(48-56(20,21)22)34(47-55(17,18)19)30(43-37)27-41-51(5,6)7/h30-37H,26-28H2,1-25H3.

What are the key properties of N-methoxy-1,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-imine?

N-methoxy-1,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-imine has a molecular weight of 948.80 g/mol, XLogP of 9.75, 25 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-methoxy-1,3,5,6-tetrakis(trimethylsilyloxy)-4-[3,4,5-tris(trimethylsilyloxy)-6-(trimethylsilyloxymethyl)oxan-2-yl]oxyhexan-2-imine is sourced from PubChem (CID 91754085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).