2-[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]methyl]oxirane

C64H72O8 — CID 158952710

About 2-[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]methyl]oxirane

2-[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]methyl]oxirane (PubChem CID 158952710) has the molecular formula C64H72O8 and a molecular weight of 969.27 g/mol. Its IUPAC name is 2-[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]methyl]oxirane.

Molecular Properties

• Compound Name: 2-[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]methyl]oxirane
• PubChem CID: 158952710
• Molecular Formula: C64H72O8
• Molecular Weight: 969.27 g/mol
• Exact Mass: 968.52
• IUPAC Name: 2-[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]methyl]oxirane
• SMILES: Cc1cc(C(C)(C)c2ccc(C(C)(C)c3cc(C)c(OCC4CO4)c(C)c3)cc2)cc(C)c1OCC1CO1.Cc1cc2cc(-c3ccc4c(C)c(OCC5CO5)c(C)cc4c3)ccc2c(C)c1OCC1CO1
• InChI: InChI=1S/C34H42O4.C30H30O4/c1-21-13-27(14-22(2)31(21)37-19-29-17-35-29)33(5,6)25-9-11-26(12-10-25)34(7,8)28-15-23(3)32(24(4)16-28)38-20-30-18-36-30;1-17-9-23-11-21(5-7-27(23)19(3)29(17)33-15-25-13-31-25)22-6-8-28-20(4)30(34-16-26-14-32-26)18(2)10-24(28)12-22/h9-16,29-30H,17-20H2,1-8H3;5-12,25-26H,13-16H2,1-4H3
• InChIKey: JLQACUIUOYLXQL-UHFFFAOYSA-N
• XLogP: 13.58
• TPSA: 87.04 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 17
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.27
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]methyl]oxirane?

The IUPAC name of 2-[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]methyl]oxirane (CID 158952710) is 2-[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]methyl]oxirane.

What is the SMILES notation for 2-[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]methyl]oxirane?

The canonical SMILES for 2-[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]methyl]oxirane is Cc1cc(C(C)(C)c2ccc(C(C)(C)c3cc(C)c(OCC4CO4)c(C)c3)cc2)cc(C)c1OCC1CO1.Cc1cc2cc(-c3ccc4c(C)c(OCC5CO5)c(C)cc4c3)ccc2c(C)c1OCC1CO1.

What is the InChIKey of 2-[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]methyl]oxirane?

The InChIKey is JLQACUIUOYLXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42O4.C30H30O4/c1-21-13-27(14-22(2)31(21)37-19-29-17-35-29)33(5,6)25-9-11-26(12-10-25)34(7,8)28-15-23(3)32(24(4)16-28)38-20-30-18-36-30;1-17-9-23-11-21(5-7-27(23)19(3)29(17)33-15-25-13-31-25)22-6-8-28-20(4)30(34-16-26-14-32-26)18(2)10-24(28)12-22/h9-16,29-30H,17-20H2,1-8H3;5-12,25-26H,13-16H2,1-4H3.

What are the key properties of 2-[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]methyl]oxirane?

2-[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]methyl]oxirane has a molecular weight of 969.27 g/mol, XLogP of 13.58, 17 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[5,7-dimethyl-6-(oxiran-2-ylmethoxy)naphthalen-2-yl]-1,3-dimethylnaphthalen-2-yl]oxymethyl]oxirane;2-[[4-[2-[4-[2-[3,5-dimethyl-4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]-2,6-dimethylphenoxy]methyl]oxirane is sourced from PubChem (CID 158952710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).