2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane

C7H12O4 — CID 141395062

IUPAC2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane
SMILESCC1(OCOC2(C)CO2)CO1
InChIInChI=1S/C7H12O4/c1-6(3-8-6)10-5-11-7(2)4-9-7/h3-5H2,1-2H3
InChIKeyGQEWAOSUOYAHNW-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.47
Rot. Bonds4

About 2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane

2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane (PubChem CID 141395062) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane.

Molecular Properties

Compound Name2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane
PubChem CID141395062
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane
SMILESCC1(OCOC2(C)CO2)CO1
InChIInChI=1S/C7H12O4/c1-6(3-8-6)10-5-11-7(2)4-9-7/h3-5H2,1-2H3
InChIKeyGQEWAOSUOYAHNW-UHFFFAOYSA-N
XLogP0.47
TPSA43.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane
CID 738898
2-methyl-2-[(E)-2-methylhept-5-enoxy]oxirane
CID 126582391
(2-methyloxiran-2-yl)methanethiol
CID 141439358
N-(2-methyloxiran-2-yl)oxypropan-2-imine
CID 89125405
dimethoxy-methyl-[(2-methyloxiran-2-yl)methyl]silane
CID 139924787
hydroxy-(2-methyloxiran-2-yl)oxy-oxophosphanium
CID 172704739
2-cyclohexyloxy-2-methyloxirane
CID 89006811
2-methyl-2-phenoxyoxirane
CID 19360932
2-(2-methyloxiran-2-yl)acetaldehyde
CID 14691612
2-methyl-2-(sulfanyloxymethyl)oxirane
CID 141439359
2-ethoxy-2-ethyloxirane
CID 87059736
2-chloro-2-methyloxirane
CID 15120421

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane?
The IUPAC name of 2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane (CID 141395062) is 2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane.
What is the SMILES notation for 2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane?
The canonical SMILES for 2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane is CC1(OCOC2(C)CO2)CO1.
What is the InChIKey of 2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane?
The InChIKey is GQEWAOSUOYAHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-6(3-8-6)10-5-11-7(2)4-9-7/h3-5H2,1-2H3.
What are the key properties of 2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane?
2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane has a molecular weight of 160.17 g/mol, XLogP of 0.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyloxiran-2-yl)oxymethoxy]oxirane is sourced from PubChem (CID 141395062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).