2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane

C40H38Br8O6 — CID 59257531

About 2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane

2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane (PubChem CID 59257531) has the molecular formula C40H38Br8O6 and a molecular weight of 1253.97 g/mol. Its IUPAC name is 2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane.

Molecular Properties

• Compound Name: 2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane
• PubChem CID: 59257531
• Molecular Formula: C40H38Br8O6
• Molecular Weight: 1253.97 g/mol
• Exact Mass: 1245.61
• IUPAC Name: 2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane
• SMILES: CC(COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC3CO3)c(Br)c2)cc1Br)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC3CO3)c(Br)c2)cc1Br
• InChI: InChI=1S/C40H38Br8O6/c1-20(14-51-35-27(41)6-21(7-28(35)42)39(2,3)23-10-31(45)37(32(46)11-23)53-18-25-16-49-25)15-52-36-29(43)8-22(9-30(36)44)40(4,5)24-12-33(47)38(34(48)13-24)54-19-26-17-50-26/h6-13,20,25-26H,14-19H2,1-5H3
• InChIKey: WYPYEIFFTVKJPK-UHFFFAOYSA-N
• XLogP: 14.09
• TPSA: 61.98 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 16
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1253.97
LogP ≤ 5	14.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane?

The IUPAC name of 2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane (CID 59257531) is 2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane.

What is the SMILES notation for 2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane?

The canonical SMILES for 2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane is CC(COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC3CO3)c(Br)c2)cc1Br)COc1c(Br)cc(C(C)(C)c2cc(Br)c(OCC3CO3)c(Br)c2)cc1Br.

What is the InChIKey of 2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane?

The InChIKey is WYPYEIFFTVKJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38Br8O6/c1-20(14-51-35-27(41)6-21(7-28(35)42)39(2,3)23-10-31(45)37(32(46)11-23)53-18-25-16-49-25)15-52-36-29(43)8-22(9-30(36)44)40(4,5)24-12-33(47)38(34(48)13-24)54-19-26-17-50-26/h6-13,20,25-26H,14-19H2,1-5H3.

What are the key properties of 2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane?

2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane has a molecular weight of 1253.97 g/mol, XLogP of 14.09, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2,6-dibromo-4-[2-[3,5-dibromo-4-[3-[2,6-dibromo-4-[2-[3,5-dibromo-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]-2-methylpropoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane is sourced from PubChem (CID 59257531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).