2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

C20H28O8 — CID 146313445

IUPAC2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
SMILESC(COCC1CO1)OCC1CO1.c1cc(OCC2CO2)ccc1OCC1CO1
InChIInChI=1S/C12H14O4.C8H14O4/c1-2-10(14-6-12-8-16-12)4-3-9(1)13-5-11-7-15-11;1(9-3-7-5-11-7)2-10-4-8-6-12-8/h1-4,11-12H,5-8H2;7-8H,1-6H2
InChIKeyIPZNJWUPRQBUOA-UHFFFAOYSA-N
MW396.44 g/mol
LogP1.06
Rot. Bonds13

About 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane (PubChem CID 146313445) has the molecular formula C20H28O8 and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
PubChem CID146313445
Molecular FormulaC20H28O8
Molecular Weight396.44 g/mol
Exact Mass396.18
IUPAC Name2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
SMILESC(COCC1CO1)OCC1CO1.c1cc(OCC2CO2)ccc1OCC1CO1
InChIInChI=1S/C12H14O4.C8H14O4/c1-2-10(14-6-12-8-16-12)4-3-9(1)13-5-11-7-15-11;1(9-3-7-5-11-7)2-10-4-8-6-12-8/h1-4,11-12H,5-8H2;7-8H,1-6H2
InChIKeyIPZNJWUPRQBUOA-UHFFFAOYSA-N
XLogP1.06
TPSA87.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane with MolForge

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Related Compounds

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]phenoxy]ethoxymethyl]oxirane
CID 87441812
(2S)-2-[[4-(2-ethoxyethoxy)phenoxy]methyl]oxirane
CID 11075490
2-[[4-(2-methoxyethoxymethoxy)phenoxy]methyl]oxirane
CID 74928009
2-[[4-(oxiran-2-ylmethoxymethyl)phenoxy]methyl]oxirane
CID 86030430
2-[2-[4-[4-[2-(oxiran-2-ylmethoxy)ethoxy]phenyl]sulfanylphenoxy]ethoxymethyl]oxirane
CID 143216259
2-[2-(2-phenoxyethoxy)ethoxymethyl]oxirane
CID 59687579
bis[4-(oxiran-2-ylmethoxy)phenyl]diazene
CID 4055525
2-(oxiran-2-ylmethoxymethyl)oxirane;2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane
CID 18780787
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
ethoxyethane;2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]phenoxy]methyl]oxirane
CID 88710834
2-[2-(4-cyclohexylphenoxy)ethoxymethyl]oxirane
CID 152663687

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
The IUPAC name of 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane (CID 146313445) is 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane is C(COCC1CO1)OCC1CO1.c1cc(OCC2CO2)ccc1OCC1CO1.
What is the InChIKey of 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
The InChIKey is IPZNJWUPRQBUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4.C8H14O4/c1-2-10(14-6-12-8-16-12)4-3-9(1)13-5-11-7-15-11;1(9-3-7-5-11-7)2-10-4-8-6-12-8/h1-4,11-12H,5-8H2;7-8H,1-6H2.
What are the key properties of 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane has a molecular weight of 396.44 g/mol, XLogP of 1.06, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane is sourced from PubChem (CID 146313445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).