2-[[4-[2-[4-[3-[4-[2-[4-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane

C57H64O8 — CID 56843695

IUPAC2-[[4-[2-[4-[3-[4-[2-[4-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane
SMILESCC(C)(c1ccc(OCCCOc2ccc(C(C)(C)c3ccc(OCC4CO4)cc3)cc2)cc1)c1ccc(OCCCOc2ccc(C(C)(C)c3ccc(OCC4CO4)cc3)cc2)cc1
InChIInChI=1S/C57H64O8/c1-55(2,41-9-21-47(22-10-41)58-33-7-35-60-49-25-13-43(14-26-49)56(3,4)45-17-29-51(30-18-45)62-37-53-39-64-53)42-11-23-48(24-12-42)59-34-8-36-61-50-27-15-44(16-28-50)57(5,6)46-19-31-52(32-20-46)63-38-54-40-65-54/h9-32,53-54H,7-8,33-40H2,1-6H3
InChIKeyQFNZROWGRTWJRE-UHFFFAOYSA-N
MW877.13 g/mol
LogP11.92
Rot. Bonds24

About 2-[[4-[2-[4-[3-[4-[2-[4-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane

2-[[4-[2-[4-[3-[4-[2-[4-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane (PubChem CID 56843695) has the molecular formula C57H64O8 and a molecular weight of 877.13 g/mol. Its IUPAC name is 2-[[4-[2-[4-[3-[4-[2-[4-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[2-[4-[3-[4-[2-[4-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane
PubChem CID56843695
Molecular FormulaC57H64O8
Molecular Weight877.13 g/mol
Exact Mass876.46
IUPAC Name2-[[4-[2-[4-[3-[4-[2-[4-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane
SMILESCC(C)(c1ccc(OCCCOc2ccc(C(C)(C)c3ccc(OCC4CO4)cc3)cc2)cc1)c1ccc(OCCCOc2ccc(C(C)(C)c3ccc(OCC4CO4)cc3)cc2)cc1
InChIInChI=1S/C57H64O8/c1-55(2,41-9-21-47(22-10-41)58-33-7-35-60-49-25-13-43(14-26-49)56(3,4)45-17-29-51(30-18-45)62-37-53-39-64-53)42-11-23-48(24-12-42)59-34-8-36-61-50-27-15-44(16-28-50)57(5,6)46-19-31-52(32-20-46)63-38-54-40-65-54/h9-32,53-54H,7-8,33-40H2,1-6H3
InChIKeyQFNZROWGRTWJRE-UHFFFAOYSA-N
XLogP11.92
TPSA80.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.13
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[4-[2-[4-[3-[4-[2-[4-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-[4-[3-[4-[2-[4-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[2-[4-[3-[4-[2-[4-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane (CID 56843695) is 2-[[4-[2-[4-[3-[4-[2-[4-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[2-[4-[3-[4-[2-[4-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[2-[4-[3-[4-[2-[4-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane is CC(C)(c1ccc(OCCCOc2ccc(C(C)(C)c3ccc(OCC4CO4)cc3)cc2)cc1)c1ccc(OCCCOc2ccc(C(C)(C)c3ccc(OCC4CO4)cc3)cc2)cc1.
What is the InChIKey of 2-[[4-[2-[4-[3-[4-[2-[4-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The InChIKey is QFNZROWGRTWJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H64O8/c1-55(2,41-9-21-47(22-10-41)58-33-7-35-60-49-25-13-43(14-26-49)56(3,4)45-17-29-51(30-18-45)62-37-53-39-64-53)42-11-23-48(24-12-42)59-34-8-36-61-50-27-15-44(16-28-50)57(5,6)46-19-31-52(32-20-46)63-38-54-40-65-54/h9-32,53-54H,7-8,33-40H2,1-6H3.
What are the key properties of 2-[[4-[2-[4-[3-[4-[2-[4-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane?
2-[[4-[2-[4-[3-[4-[2-[4-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane has a molecular weight of 877.13 g/mol, XLogP of 11.92, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[4-[3-[4-[2-[4-[3-[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]phenoxy]methyl]oxirane is sourced from PubChem (CID 56843695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).