2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

C24H26O8 — CID 129094059

IUPAC2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
SMILESc1cc(OCC2CO2)c(-c2ccc(OCC3CO3)cc2OCC2CO2)c(OCC2CO2)c1
InChIInChI=1S/C24H26O8/c1-2-21(30-12-17-9-27-17)24(22(3-1)31-13-18-10-28-18)20-5-4-15(25-7-16-8-26-16)6-23(20)32-14-19-11-29-19/h1-6,16-19H,7-14H2
InChIKeyNMACIRYAMZCWKT-UHFFFAOYSA-N
MW442.46 g/mol
LogP2.46
Rot. Bonds13

About 2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane (PubChem CID 129094059) has the molecular formula C24H26O8 and a molecular weight of 442.46 g/mol. Its IUPAC name is 2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
PubChem CID129094059
Molecular FormulaC24H26O8
Molecular Weight442.46 g/mol
Exact Mass442.16
IUPAC Name2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
SMILESc1cc(OCC2CO2)c(-c2ccc(OCC3CO3)cc2OCC2CO2)c(OCC2CO2)c1
InChIInChI=1S/C24H26O8/c1-2-21(30-12-17-9-27-17)24(22(3-1)31-13-18-10-28-18)20-5-4-15(25-7-16-8-26-16)6-23(20)32-14-19-11-29-19/h1-6,16-19H,7-14H2
InChIKeyNMACIRYAMZCWKT-UHFFFAOYSA-N
XLogP2.46
TPSA87.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane with MolForge

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Related Compounds

(2R)-2-[[5-[[(2R)-oxiran-2-yl]methoxy]naphthalen-2-yl]oxymethyl]oxirane
CID 681871
(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[[2,4-bis(oxiran-2-ylmethoxy)-3-[2-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 129094170
hydron;5-(oxiran-2-ylmethoxy)-2-benzofuran-1,3-dione
CID 174669701
1-[3-(oxiran-2-ylmethoxy)phenyl]pyrrolidine
CID 146098529
5-(oxiran-2-ylmethoxy)-2-[2-(oxiran-2-ylmethoxy)phenyl]isoindole-1,3-dione
CID 139773375
5-(oxiran-2-ylmethoxy)-2-[3-(oxiran-2-ylmethoxy)phenyl]isoindole-1,3-dione
CID 139773379
(2S)-2-(naphthalen-2-yloxymethyl)oxirane
CID 726163
3-[3-[2-(3-hydroxy-2-methylpropoxy)-4-(oxiran-2-ylmethoxy)phenyl]phenoxy]-2-methylpropan-1-ol
CID 163830401
1-(oxiran-2-ylmethoxy)anthracene-9,10-dione
CID 13423602
2-[[3-[1,3,3-tris[3-(oxiran-2-ylmethoxy)phenyl]propyl]phenoxy]methyl]oxirane
CID 59217386
2-[[3,5-bis(oxiran-2-ylmethoxy)-2-[3,5,7-tris[2,4,6-tris(oxiran-2-ylmethoxy)phenyl]-1-adamantyl]phenoxy]methyl]oxirane
CID 87570733

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane (CID 129094059) is 2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane is c1cc(OCC2CO2)c(-c2ccc(OCC3CO3)cc2OCC2CO2)c(OCC2CO2)c1.
What is the InChIKey of 2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
The InChIKey is NMACIRYAMZCWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O8/c1-2-21(30-12-17-9-27-17)24(22(3-1)31-13-18-10-28-18)20-5-4-15(25-7-16-8-26-16)6-23(20)32-14-19-11-29-19/h1-6,16-19H,7-14H2.
What are the key properties of 2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane has a molecular weight of 442.46 g/mol, XLogP of 2.46, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2,6-bis(oxiran-2-ylmethoxy)phenyl]-5-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane is sourced from PubChem (CID 129094059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).