2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane

C11H22O4 — CID 134464354

IUPAC2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane
SMILESCCCOCCOCC(C)OCC1CO1
InChIInChI=1S/C11H22O4/c1-3-4-12-5-6-13-7-10(2)14-8-11-9-15-11/h10-11H,3-9H2,1-2H3
InChIKeyNODVINKBMGEQRN-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.23
Rot. Bonds10

About 2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane

2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane (PubChem CID 134464354) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane.

Molecular Properties

Compound Name2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane
PubChem CID134464354
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane
SMILESCCCOCCOCC(C)OCC1CO1
InChIInChI=1S/C11H22O4/c1-3-4-12-5-6-13-7-10(2)14-8-11-9-15-11/h10-11H,3-9H2,1-2H3
InChIKeyNODVINKBMGEQRN-UHFFFAOYSA-N
XLogP1.23
TPSA40.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-(propoxymethyl)oxirane
CID 18406
2-[2-(2-bromoethoxy)ethoxy]-1-(2-methoxyethoxy)propane;2-[2-[1-(2-methoxyethoxy)propan-2-yloxy]ethoxymethyl]oxirane
CID 163522489
2-(oxiran-2-ylmethoxy)propyl-tripropoxysilane
CID 22169298
2-[[1-ethoxy-2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]methyl]oxirane
CID 150746086
2-propoxy-1-[2-(2-propoxypropoxy)ethoxy]propane
CID 87065837
3-methyl-7-oxabicyclo[4.1.0]heptane;6-methyl-3-oxatricyclo[3.2.1.02,4]octane;2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane;2-propoxyoxirane
CID 159450261
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(oxiran-2-ylmethoxy)hexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 59991511
ethyl-[3-(oxiran-2-ylmethoxy)butyl]-dipropoxysilane
CID 152596309
(2R)-2-[[(2R)-1-phenylmethoxypropan-2-yl]oxymethyl]oxirane
CID 90410381
2-[1-(oxiran-2-ylmethoxy)propan-2-yloxymethyl]oxirane;prop-2-enoic acid
CID 87064307
2-[7-(oxiran-2-ylmethoxy)octan-2-yloxymethyl]oxirane
CID 101275367

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane?
The IUPAC name of 2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane (CID 134464354) is 2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane.
What is the SMILES notation for 2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane?
The canonical SMILES for 2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane is CCCOCCOCC(C)OCC1CO1.
What is the InChIKey of 2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane?
The InChIKey is NODVINKBMGEQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-3-4-12-5-6-13-7-10(2)14-8-11-9-15-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane?
2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane has a molecular weight of 218.29 g/mol, XLogP of 1.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-propoxyethoxy)propan-2-yloxymethyl]oxirane is sourced from PubChem (CID 134464354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).