2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane

C39H40O8 — CID 134322112

IUPAC2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
SMILESc1ccc(OCC2CO2)c(Cc2cccc(Cc3cccc(Cc4ccccc4OCC4CO4)c3OCC3CO3)c2OCC2CO2)c1
InChIInChI=1S/C39H40O8/c1-3-13-36(44-22-32-18-40-32)26(7-1)15-28-9-5-11-30(38(28)46-24-34-20-42-34)17-31-12-6-10-29(39(31)47-25-35-21-43-35)16-27-8-2-4-14-37(27)45-23-33-19-41-33/h1-14,32-35H,15-25H2
InChIKeyJKKYEXLHZHMXIR-UHFFFAOYSA-N
MW636.74 g/mol
LogP5.57
Rot. Bonds18

About 2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane

2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane (PubChem CID 134322112) has the molecular formula C39H40O8 and a molecular weight of 636.74 g/mol. Its IUPAC name is 2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
PubChem CID134322112
Molecular FormulaC39H40O8
Molecular Weight636.74 g/mol
Exact Mass636.27
IUPAC Name2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane
SMILESc1ccc(OCC2CO2)c(Cc2cccc(Cc3cccc(Cc4ccccc4OCC4CO4)c3OCC3CO3)c2OCC2CO2)c1
InChIInChI=1S/C39H40O8/c1-3-13-36(44-22-32-18-40-32)26(7-1)15-28-9-5-11-30(38(28)46-24-34-20-42-34)17-31-12-6-10-29(39(31)47-25-35-21-43-35)16-27-8-2-4-14-37(27)45-23-33-19-41-33/h1-14,32-35H,15-25H2
InChIKeyJKKYEXLHZHMXIR-UHFFFAOYSA-N
XLogP5.57
TPSA87.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500636.74
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

ethane;2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 158003640
2-[[2-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;2-[[2-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane;2-[[4-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
CID 161076249
N-methyl-2-[2-[[(2S)-oxiran-2-yl]methoxy]phenyl]acetamide
CID 86612852
2-[[2-[(E)-pent-2-enyl]phenoxy]methyl]oxirane
CID 101312440
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593
[2-[[(2R)-oxiran-2-yl]methoxy]phenyl] formate
CID 165349007
5-(oxiran-2-ylmethoxy)naphthalen-1-ol
CID 13305201
2-[(5-methylnaphthalen-1-yl)oxymethyl]oxirane
CID 129074160
[2-(1,3-dioxolan-4-ylmethoxy)phenyl]methanol
CID 86810362
2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 129094170
2-[[2,6-bis(but-2-enyl)phenoxy]methyl]oxirane
CID 151780237
2-[(2,3-dibutylphenoxy)methyl]oxirane
CID 154323434

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane (CID 134322112) is 2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane is c1ccc(OCC2CO2)c(Cc2cccc(Cc3cccc(Cc4ccccc4OCC4CO4)c3OCC3CO3)c2OCC2CO2)c1.
What is the InChIKey of 2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane?
The InChIKey is JKKYEXLHZHMXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H40O8/c1-3-13-36(44-22-32-18-40-32)26(7-1)15-28-9-5-11-30(38(28)46-24-34-20-42-34)17-31-12-6-10-29(39(31)47-25-35-21-43-35)16-27-8-2-4-14-37(27)45-23-33-19-41-33/h1-14,32-35H,15-25H2.
What are the key properties of 2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane?
2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane has a molecular weight of 636.74 g/mol, XLogP of 5.57, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)-3-[[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenyl]methyl]phenyl]methyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 134322112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).