3-(methoxymethyl)-2,2-dimethyloxirane

C6H12O2 — CID 12723336

IUPAC3-(methoxymethyl)-2,2-dimethyloxirane
SMILESCOCC1OC1(C)C
InChIInChI=1S/C6H12O2/c1-6(2)5(8-6)4-7-3/h5H,4H2,1-3H3
InChIKeyFQEIFONQKLVETL-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.81
Rot. Bonds2

About 3-(methoxymethyl)-2,2-dimethyloxirane

3-(methoxymethyl)-2,2-dimethyloxirane (PubChem CID 12723336) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 3-(methoxymethyl)-2,2-dimethyloxirane.

Molecular Properties

Compound Name3-(methoxymethyl)-2,2-dimethyloxirane
PubChem CID12723336
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name3-(methoxymethyl)-2,2-dimethyloxirane
SMILESCOCC1OC1(C)C
InChIInChI=1S/C6H12O2/c1-6(2)5(8-6)4-7-3/h5H,4H2,1-3H3
InChIKeyFQEIFONQKLVETL-UHFFFAOYSA-N
XLogP0.81
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(methoxymethyl)oxirane-2,2-diamine
CID 163511879
(3R)-3-ethyl-2,2-dimethyloxirane
CID 12568504
[(2S)-3,3-dimethyloxiran-2-yl]methanol
CID 11105322
(4R,6R)-6-(methoxymethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-ol
CID 70964585
(2R,6R,8R)-8-(methoxymethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 134973745
(1R,2R,6S,8S,9R)-8-(methoxymethyl)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecane
CID 11896203
(5R)-4-cyclobutyl-5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolane
CID 155407417
5-(methoxymethyl)-2,2-dimethyl-1,3-oxazolidine
CID 22160871
3-(methoxymethyl)-2,2-dimethylaziridine
CID 135013065
2,4,6-tris(methoxymethyl)-1,3,5-trioxane
CID 163692364
2-[6-(methoxymethyl)-2,2-dimethyl-1,3-dioxan-4-yl]acetic acid
CID 18716202
2-[5-(methoxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]cyclobutan-1-ol
CID 155407448

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-2,2-dimethyloxirane?
The IUPAC name of 3-(methoxymethyl)-2,2-dimethyloxirane (CID 12723336) is 3-(methoxymethyl)-2,2-dimethyloxirane.
What is the SMILES notation for 3-(methoxymethyl)-2,2-dimethyloxirane?
The canonical SMILES for 3-(methoxymethyl)-2,2-dimethyloxirane is COCC1OC1(C)C.
What is the InChIKey of 3-(methoxymethyl)-2,2-dimethyloxirane?
The InChIKey is FQEIFONQKLVETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(2)5(8-6)4-7-3/h5H,4H2,1-3H3.
What are the key properties of 3-(methoxymethyl)-2,2-dimethyloxirane?
3-(methoxymethyl)-2,2-dimethyloxirane has a molecular weight of 116.16 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-2,2-dimethyloxirane is sourced from PubChem (CID 12723336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).