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

C43H48O8 — CID 22081635

IUPAC2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane
SMILESCC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)c(Cc2cc(C(C)(C)c3ccc(OCC4CO4)cc3)ccc2OCC2CO2)c1
InChIInChI=1S/C43H48O8/c1-42(2,30-5-11-34(12-6-30)44-20-36-22-46-36)32-9-15-40(50-26-38-24-48-38)28(18-32)17-29-19-33(10-16-41(29)51-27-39-25-49-39)43(3,4)31-7-13-35(14-8-31)45-21-37-23-47-37/h5-16,18-19,36-39H,17,20-27H2,1-4H3
InChIKeyGTHHSPSBOSHBLZ-UHFFFAOYSA-N
MW692.85 g/mol
LogP7.04
Rot. Bonds18

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

2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane (PubChem CID 22081635) has the molecular formula C43H48O8 and a molecular weight of 692.85 g/mol. Its IUPAC name is 2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane
PubChem CID22081635
Molecular FormulaC43H48O8
Molecular Weight692.85 g/mol
Exact Mass692.33
IUPAC Name2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane
SMILESCC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)c(Cc2cc(C(C)(C)c3ccc(OCC4CO4)cc3)ccc2OCC2CO2)c1
InChIInChI=1S/C43H48O8/c1-42(2,30-5-11-34(12-6-30)44-20-36-22-46-36)32-9-15-40(50-26-38-24-48-38)28(18-32)17-29-19-33(10-16-41(29)51-27-39-25-49-39)43(3,4)31-7-13-35(14-8-31)45-21-37-23-47-37/h5-16,18-19,36-39H,17,20-27H2,1-4H3
InChIKeyGTHHSPSBOSHBLZ-UHFFFAOYSA-N
XLogP7.04
TPSA87.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.85
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]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-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane (CID 22081635) is 2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane is CC(C)(c1ccc(OCC2CO2)cc1)c1ccc(OCC2CO2)c(Cc2cc(C(C)(C)c3ccc(OCC4CO4)cc3)ccc2OCC2CO2)c1.
What is the InChIKey of 2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane?
The InChIKey is GTHHSPSBOSHBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48O8/c1-42(2,30-5-11-34(12-6-30)44-20-36-22-46-36)32-9-15-40(50-26-38-24-48-38)28(18-32)17-29-19-33(10-16-41(29)51-27-39-25-49-39)43(3,4)31-7-13-35(14-8-31)45-21-37-23-47-37/h5-16,18-19,36-39H,17,20-27H2,1-4H3.
What are the key properties of 2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane?
2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane has a molecular weight of 692.85 g/mol, XLogP of 7.04, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-[4-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-5-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenyl]methyl]phenyl]propan-2-yl]phenoxy]methyl]oxirane is sourced from PubChem (CID 22081635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).