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

C28H28O6 — CID 3034480

IUPAC2-[[2-[bis[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
SMILESc1ccc(C(c2ccccc2OCC2CO2)c2ccccc2OCC2CO2)c(OCC2CO2)c1
InChIInChI=1S/C28H28O6/c1-4-10-25(32-16-19-13-29-19)22(7-1)28(23-8-2-5-11-26(23)33-17-20-14-30-20)24-9-3-6-12-27(24)34-18-21-15-31-21/h1-12,19-21,28H,13-18H2
InChIKeyUJWXADOOYOEBCW-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.20
Rot. Bonds12

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

2-[[2-[bis[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane (PubChem CID 3034480) has the molecular formula C28H28O6 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-[[2-[bis[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-[bis[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
PubChem CID3034480
Molecular FormulaC28H28O6
Molecular Weight460.53 g/mol
Exact Mass460.19
IUPAC Name2-[[2-[bis[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane
SMILESc1ccc(C(c2ccccc2OCC2CO2)c2ccccc2OCC2CO2)c(OCC2CO2)c1
InChIInChI=1S/C28H28O6/c1-4-10-25(32-16-19-13-29-19)22(7-1)28(23-8-2-5-11-26(23)33-17-20-14-30-20)24-9-3-6-12-27(24)34-18-21-15-31-21/h1-12,19-21,28H,13-18H2
InChIKeyUJWXADOOYOEBCW-UHFFFAOYSA-N
XLogP4.20
TPSA65.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[bis[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2-[bis[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane (CID 3034480) is 2-[[2-[bis[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-[bis[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-[bis[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane is c1ccc(C(c2ccccc2OCC2CO2)c2ccccc2OCC2CO2)c(OCC2CO2)c1.
What is the InChIKey of 2-[[2-[bis[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane?
The InChIKey is UJWXADOOYOEBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O6/c1-4-10-25(32-16-19-13-29-19)22(7-1)28(23-8-2-5-11-26(23)33-17-20-14-30-20)24-9-3-6-12-27(24)34-18-21-15-31-21/h1-12,19-21,28H,13-18H2.
What are the key properties of 2-[[2-[bis[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane?
2-[[2-[bis[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane has a molecular weight of 460.53 g/mol, XLogP of 4.20, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[bis[2-(oxiran-2-ylmethoxy)phenyl]methyl]phenoxy]methyl]oxirane is sourced from PubChem (CID 3034480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).