2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

C15H20O6 — CID 170966170

IUPAC2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
SMILESCCOCOc1cccc(OCC2CO2)c1OCC1CO1
InChIInChI=1S/C15H20O6/c1-2-16-10-21-14-5-3-4-13(19-8-11-6-17-11)15(14)20-9-12-7-18-12/h3-5,11-12H,2,6-10H2,1H3
InChIKeyCOFFKARXLUNCCY-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.61
Rot. Bonds10

About 2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane (PubChem CID 170966170) has the molecular formula C15H20O6 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
PubChem CID170966170
Molecular FormulaC15H20O6
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
SMILESCCOCOc1cccc(OCC2CO2)c1OCC1CO1
InChIInChI=1S/C15H20O6/c1-2-16-10-21-14-5-3-4-13(19-8-11-6-17-11)15(14)20-9-12-7-18-12/h3-5,11-12H,2,6-10H2,1H3
InChIKeyCOFFKARXLUNCCY-UHFFFAOYSA-N
XLogP1.61
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane (CID 170966170) is 2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane is CCOCOc1cccc(OCC2CO2)c1OCC1CO1.
What is the InChIKey of 2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
The InChIKey is COFFKARXLUNCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O6/c1-2-16-10-21-14-5-3-4-13(19-8-11-6-17-11)15(14)20-9-12-7-18-12/h3-5,11-12H,2,6-10H2,1H3.
What are the key properties of 2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane has a molecular weight of 296.32 g/mol, XLogP of 1.61, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethoxymethoxy)-6-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane is sourced from PubChem (CID 170966170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).