2-[[4-methyl-2-[[5-methyl-3-[[5-methyl-3-[[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

C55H70N4O14 — CID 162125485

About 2-[[4-methyl-2-[[5-methyl-3-[[5-methyl-3-[[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione

2-[[4-methyl-2-[[5-methyl-3-[[5-methyl-3-[[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (PubChem CID 162125485) has the molecular formula C55H70N4O14 and a molecular weight of 1011.18 g/mol. Its IUPAC name is 2-[[4-methyl-2-[[5-methyl-3-[[5-methyl-3-[[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.

Molecular Properties

• Compound Name: 2-[[4-methyl-2-[[5-methyl-3-[[5-methyl-3-[[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
• PubChem CID: 162125485
• Molecular Formula: C55H70N4O14
• Molecular Weight: 1011.18 g/mol
• Exact Mass: 1010.49
• IUPAC Name: 2-[[4-methyl-2-[[5-methyl-3-[[5-methyl-3-[[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
• SMILES: COCN1C(=O)N(COC)C2C1N(COC)C(=O)N2COC.Cc1ccc(OCC2CO2)c(Cc2cc(C)cc(Cc3cc(C)cc(Cc4cc(C)ccc4OCC4CO4)c3OCC3CO3)c2OCC2CO2)c1
• InChI: InChI=1S/C43H48O8.C12H22N4O6/c1-26-5-7-40(48-22-36-18-44-36)30(9-26)15-32-11-28(3)13-34(42(32)50-24-38-20-46-38)17-35-14-29(4)12-33(43(35)51-25-39-21-47-39)16-31-10-27(2)6-8-41(31)49-23-37-19-45-37;1-19-5-13-9-10(15(7-21-3)11(13)17)16(8-22-4)12(18)14(9)6-20-2/h5-14,36-39H,15-25H2,1-4H3;9-10H,5-8H2,1-4H3
• InChIKey: ZHYRWMPIBJMAGH-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 171.06 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 26
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1011.18
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-2-[[5-methyl-3-[[5-methyl-3-[[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?

The IUPAC name of 2-[[4-methyl-2-[[5-methyl-3-[[5-methyl-3-[[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione (CID 162125485) is 2-[[4-methyl-2-[[5-methyl-3-[[5-methyl-3-[[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione.

What is the SMILES notation for 2-[[4-methyl-2-[[5-methyl-3-[[5-methyl-3-[[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?

The canonical SMILES for 2-[[4-methyl-2-[[5-methyl-3-[[5-methyl-3-[[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is COCN1C(=O)N(COC)C2C1N(COC)C(=O)N2COC.Cc1ccc(OCC2CO2)c(Cc2cc(C)cc(Cc3cc(C)cc(Cc4cc(C)ccc4OCC4CO4)c3OCC3CO3)c2OCC2CO2)c1.

What is the InChIKey of 2-[[4-methyl-2-[[5-methyl-3-[[5-methyl-3-[[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?

The InChIKey is ZHYRWMPIBJMAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48O8.C12H22N4O6/c1-26-5-7-40(48-22-36-18-44-36)30(9-26)15-32-11-28(3)13-34(42(32)50-24-38-20-46-38)17-35-14-29(4)12-33(43(35)51-25-39-21-47-39)16-31-10-27(2)6-8-41(31)49-23-37-19-45-37;1-19-5-13-9-10(15(7-21-3)11(13)17)16(8-22-4)12(18)14(9)6-20-2/h5-14,36-39H,15-25H2,1-4H3;9-10H,5-8H2,1-4H3.

What are the key properties of 2-[[4-methyl-2-[[5-methyl-3-[[5-methyl-3-[[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione?

2-[[4-methyl-2-[[5-methyl-3-[[5-methyl-3-[[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione has a molecular weight of 1011.18 g/mol, XLogP of 6.33, 26 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-methyl-2-[[5-methyl-3-[[5-methyl-3-[[5-methyl-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]-2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;1,3,4,6-tetrakis(methoxymethyl)-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione is sourced from PubChem (CID 162125485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).