2-[[2-[2-methyl-1-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)-2-[3-[[5-(oxiran-2-ylmethoxy)-2-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]pentan-3-yl]phenyl]propan-2-yl]phenyl]hexan-2-yl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane

C76H94O12 — CID 89133053

About 2-[[2-[2-methyl-1-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)-2-[3-[[5-(oxiran-2-ylmethoxy)-2-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]pentan-3-yl]phenyl]propan-2-yl]phenyl]hexan-2-yl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane

2-[[2-[2-methyl-1-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)-2-[3-[[5-(oxiran-2-ylmethoxy)-2-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]pentan-3-yl]phenyl]propan-2-yl]phenyl]hexan-2-yl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane (PubChem CID 89133053) has the molecular formula C76H94O12 and a molecular weight of 1199.58 g/mol. Its IUPAC name is 2-[[2-[2-methyl-1-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)-2-[3-[[5-(oxiran-2-ylmethoxy)-2-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]pentan-3-yl]phenyl]propan-2-yl]phenyl]hexan-2-yl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane.

Molecular Properties

• Compound Name: 2-[[2-[2-methyl-1-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)-2-[3-[[5-(oxiran-2-ylmethoxy)-2-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]pentan-3-yl]phenyl]propan-2-yl]phenyl]hexan-2-yl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
• PubChem CID: 89133053
• Molecular Formula: C76H94O12
• Molecular Weight: 1199.58 g/mol
• Exact Mass: 1198.67
• IUPAC Name: 2-[[2-[2-methyl-1-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)-2-[3-[[5-(oxiran-2-ylmethoxy)-2-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]pentan-3-yl]phenyl]propan-2-yl]phenyl]hexan-2-yl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
• SMILES: CCCCC(C)(Cc1cc(C(C)(C)c2ccc(OCC3CO3)cc2C(CC)(CC)Cc2cc(OCC3CO3)ccc2C(C)(C)c2ccc(OCC3CO3)cc2)ccc1OCC1CO1)c1cc(C(C)(C)c2ccc(OCC3CO3)cc2)ccc1OCC1CO1
• InChI: InChI=1S/C76H94O12/c1-11-14-31-75(10,69-34-55(20-30-71(69)88-49-65-47-86-65)72(4,5)52-15-21-56(22-16-52)77-38-60-42-81-60)36-51-32-54(19-29-70(51)87-48-64-46-85-64)74(8,9)67-28-26-59(80-41-63-45-84-63)35-68(67)76(12-2,13-3)37-50-33-58(79-40-62-44-83-62)25-27-66(50)73(6,7)53-17-23-57(24-18-53)78-39-61-43-82-61/h15-30,32-35,60-65H,11-14,31,36-49H2,1-10H3
• InChIKey: PHTVVERFWUMSJG-UHFFFAOYSA-N
• XLogP: 14.32
• TPSA: 130.56 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 35
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1199.58
LogP ≤ 5	14.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-methyl-1-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)-2-[3-[[5-(oxiran-2-ylmethoxy)-2-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]pentan-3-yl]phenyl]propan-2-yl]phenyl]hexan-2-yl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?

The IUPAC name of 2-[[2-[2-methyl-1-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)-2-[3-[[5-(oxiran-2-ylmethoxy)-2-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]pentan-3-yl]phenyl]propan-2-yl]phenyl]hexan-2-yl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane (CID 89133053) is 2-[[2-[2-methyl-1-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)-2-[3-[[5-(oxiran-2-ylmethoxy)-2-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]pentan-3-yl]phenyl]propan-2-yl]phenyl]hexan-2-yl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane.

What is the SMILES notation for 2-[[2-[2-methyl-1-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)-2-[3-[[5-(oxiran-2-ylmethoxy)-2-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]pentan-3-yl]phenyl]propan-2-yl]phenyl]hexan-2-yl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?

The canonical SMILES for 2-[[2-[2-methyl-1-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)-2-[3-[[5-(oxiran-2-ylmethoxy)-2-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]pentan-3-yl]phenyl]propan-2-yl]phenyl]hexan-2-yl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane is CCCCC(C)(Cc1cc(C(C)(C)c2ccc(OCC3CO3)cc2C(CC)(CC)Cc2cc(OCC3CO3)ccc2C(C)(C)c2ccc(OCC3CO3)cc2)ccc1OCC1CO1)c1cc(C(C)(C)c2ccc(OCC3CO3)cc2)ccc1OCC1CO1.

What is the InChIKey of 2-[[2-[2-methyl-1-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)-2-[3-[[5-(oxiran-2-ylmethoxy)-2-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]pentan-3-yl]phenyl]propan-2-yl]phenyl]hexan-2-yl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?

The InChIKey is PHTVVERFWUMSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H94O12/c1-11-14-31-75(10,69-34-55(20-30-71(69)88-49-65-47-86-65)72(4,5)52-15-21-56(22-16-52)77-38-60-42-81-60)36-51-32-54(19-29-70(51)87-48-64-46-85-64)74(8,9)67-28-26-59(80-41-63-45-84-63)35-68(67)76(12-2,13-3)37-50-33-58(79-40-62-44-83-62)25-27-66(50)73(6,7)53-17-23-57(24-18-53)78-39-61-43-82-61/h15-30,32-35,60-65H,11-14,31,36-49H2,1-10H3.

What are the key properties of 2-[[2-[2-methyl-1-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)-2-[3-[[5-(oxiran-2-ylmethoxy)-2-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]pentan-3-yl]phenyl]propan-2-yl]phenyl]hexan-2-yl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane?

2-[[2-[2-methyl-1-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)-2-[3-[[5-(oxiran-2-ylmethoxy)-2-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]pentan-3-yl]phenyl]propan-2-yl]phenyl]hexan-2-yl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane has a molecular weight of 1199.58 g/mol, XLogP of 14.32, 35 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[2-methyl-1-[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)-2-[3-[[5-(oxiran-2-ylmethoxy)-2-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]pentan-3-yl]phenyl]propan-2-yl]phenyl]hexan-2-yl]-4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane is sourced from PubChem (CID 89133053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).