2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane

C12H22O6 — CID 134214462

IUPAC2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
SMILESCCOCOCC(COCC1CO1)OCC1CO1
InChIInChI=1S/C12H22O6/c1-2-13-9-15-5-10(16-7-12-8-18-12)3-14-4-11-6-17-11/h10-12H,2-9H2,1H3
InChIKeyCEKQQRKKOGYQCT-UHFFFAOYSA-N
MW262.30 g/mol
LogP0.20
Rot. Bonds12

About 2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane

2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane (PubChem CID 134214462) has the molecular formula C12H22O6 and a molecular weight of 262.30 g/mol. Its IUPAC name is 2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane.

Molecular Properties

Compound Name2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
PubChem CID134214462
Molecular FormulaC12H22O6
Molecular Weight262.30 g/mol
Exact Mass262.14
IUPAC Name2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
SMILESCCOCOCC(COCC1CO1)OCC1CO1
InChIInChI=1S/C12H22O6/c1-2-13-9-15-5-10(16-7-12-8-18-12)3-14-4-11-6-17-11/h10-12H,2-9H2,1H3
InChIKeyCEKQQRKKOGYQCT-UHFFFAOYSA-N
XLogP0.20
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 50.20
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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Related Compounds

(2S)-2-[[1-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 76966856
(2S)-2-[[1-(oxiran-2-ylmethoxy)-3-[[(2R)-oxiran-2-yl]methoxy]propan-2-yl]oxymethyl]oxirane
CID 155237775
2-[1-(oxiran-2-ylmethoxy)hexan-2-yloxymethyl]oxirane
CID 71413330
2-[1,3-bis(oxiran-2-ylmethoxy)propan-2-yloxymethyl]oxirane;2-ethyl-2-(hydroxymethyl)propane-1,3-diol
CID 160886670
(2R)-2-[[(2S)-oxiran-2-yl]methoxy]-3-[[(2R)-oxiran-2-yl]methoxy]propan-1-ol
CID 93477933
5-(ethoxymethoxy)-1,4,6-tris(oxiran-2-ylmethoxy)hexane-2,3-diol
CID 155465084
2,3-bis(oxiran-2-ylmethoxy)propan-1-ol;2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane
CID 158197483
2-[[5,5,5-trifluoro-1-(oxiran-2-ylmethoxy)pentan-2-yl]oxymethyl]oxirane
CID 139989516
2-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-[1-(oxiran-2-ylmethoxy)propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxy]propan-2-yloxymethyl]oxirane
CID 177277165
2-(icosan-9-yloxymethyl)oxirane
CID 19926010
2-[[1-(2,2,3,3,4,4,5,5-octafluoropentoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane
CID 139989576
2-(1-chlorobutan-2-yloxymethyl)oxirane
CID 58763744

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane (CID 134214462) is 2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane is CCOCOCC(COCC1CO1)OCC1CO1.
What is the InChIKey of 2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane?
The InChIKey is CEKQQRKKOGYQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O6/c1-2-13-9-15-5-10(16-7-12-8-18-12)3-14-4-11-6-17-11/h10-12H,2-9H2,1H3.
What are the key properties of 2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane?
2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane has a molecular weight of 262.30 g/mol, XLogP of 0.20, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(ethoxymethoxy)-3-(oxiran-2-ylmethoxy)propan-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 134214462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).