2-(ethoxymethyl)-3-methoxyoxirane

C6H12O3 — CID 140519592

IUPAC2-(ethoxymethyl)-3-methoxyoxirane
SMILESCCOCC1OC1OC
InChIInChI=1S/C6H12O3/c1-3-8-4-5-6(7-2)9-5/h5-6H,3-4H2,1-2H3
InChIKeyAIMGQKHLWJLZJP-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.39
Rot. Bonds4

About 2-(ethoxymethyl)-3-methoxyoxirane

2-(ethoxymethyl)-3-methoxyoxirane (PubChem CID 140519592) has the molecular formula C6H12O3 and a molecular weight of 132.16 g/mol. Its IUPAC name is 2-(ethoxymethyl)-3-methoxyoxirane.

Molecular Properties

Compound Name2-(ethoxymethyl)-3-methoxyoxirane
PubChem CID140519592
Molecular FormulaC6H12O3
Molecular Weight132.16 g/mol
Exact Mass132.08
IUPAC Name2-(ethoxymethyl)-3-methoxyoxirane
SMILESCCOCC1OC1OC
InChIInChI=1S/C6H12O3/c1-3-8-4-5-6(7-2)9-5/h5-6H,3-4H2,1-2H3
InChIKeyAIMGQKHLWJLZJP-UHFFFAOYSA-N
XLogP0.39
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S)-2-(butoxymethyl)-4-methoxy-3,6-dioxabicyclo[3.1.0]hexane
CID 90346827
(2S,3S,4S,5R)-2-(ethoxymethyl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 44538123
2-methoxy-3-(2,2,2-trifluoroethyl)oxirane
CID 139912968
[(2S,3S,5R,6R)-3-(hydroxymethyl)-5,6-dimethoxy-1,4-dioxan-2-yl]methanol
CID 166639551
(2R)-3-ethyl-2-methoxy-6-(methoxymethyl)-5-methyloxane
CID 163476629
(3R,4S,5R)-2-methoxy-5-(prop-2-enoxymethyl)oxolane-3,4-diol
CID 70409483
(2R,3S,4R,5S)-3-butoxy-2-(butoxymethyl)-5-methoxy-4-methyloxolane
CID 71048290
[(2R,3R,4S,5R,6S)-4,6-diacetyloxy-5-ethoxy-2-(ethoxymethyl)oxan-3-yl] acetate
CID 91751762
2-ethyl-6-methoxyoxane-3,4,5-triol
CID 21334747
(2R,3R,4S,5S,6R)-2,3,4,5-tetramethoxy-6-(methoxymethyl)oxane
CID 12900878
(3R,4R,6R)-2-ethyl-6-methoxyoxane-3,4,5-triol
CID 58503038
5-ethyl-6-(2-hydroxypropoxymethyl)-2-methoxyoxane-3,4-diol
CID 153475297

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-3-methoxyoxirane?
The IUPAC name of 2-(ethoxymethyl)-3-methoxyoxirane (CID 140519592) is 2-(ethoxymethyl)-3-methoxyoxirane.
What is the SMILES notation for 2-(ethoxymethyl)-3-methoxyoxirane?
The canonical SMILES for 2-(ethoxymethyl)-3-methoxyoxirane is CCOCC1OC1OC.
What is the InChIKey of 2-(ethoxymethyl)-3-methoxyoxirane?
The InChIKey is AIMGQKHLWJLZJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3/c1-3-8-4-5-6(7-2)9-5/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-(ethoxymethyl)-3-methoxyoxirane?
2-(ethoxymethyl)-3-methoxyoxirane has a molecular weight of 132.16 g/mol, XLogP of 0.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-3-methoxyoxirane is sourced from PubChem (CID 140519592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).