2-methoxy-2-(methoxymethyl)oxirane

C5H10O3 — CID 172789195

IUPAC2-methoxy-2-(methoxymethyl)oxirane
SMILESCOCC1(OC)CO1
InChIInChI=1S/C5H10O3/c1-6-3-5(7-2)4-8-5/h3-4H2,1-2H3
InChIKeyPIBWUVQGVMJOSL-UHFFFAOYSA-N
MW118.13 g/mol
LogP0.01
Rot. Bonds3

About 2-methoxy-2-(methoxymethyl)oxirane

2-methoxy-2-(methoxymethyl)oxirane (PubChem CID 172789195) has the molecular formula C5H10O3 and a molecular weight of 118.13 g/mol. Its IUPAC name is 2-methoxy-2-(methoxymethyl)oxirane.

Molecular Properties

Compound Name2-methoxy-2-(methoxymethyl)oxirane
PubChem CID172789195
Molecular FormulaC5H10O3
Molecular Weight118.13 g/mol
Exact Mass118.06
IUPAC Name2-methoxy-2-(methoxymethyl)oxirane
SMILESCOCC1(OC)CO1
InChIInChI=1S/C5H10O3/c1-6-3-5(7-2)4-8-5/h3-4H2,1-2H3
InChIKeyPIBWUVQGVMJOSL-UHFFFAOYSA-N
XLogP0.01
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 50.01
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

2-methoxy-2-(methoxymethyl)oxane
CID 45090978
3-(methoxymethyl)oxetan-3-ol
CID 105427130
[4-(methoxymethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanol
CID 138039579
1-(methoxymethyl)-2-oxabicyclo[2.2.2]octan-4-amine;hydrochloride
CID 154856939
2-ethoxy-2-ethyloxirane
CID 87059736
(2-methoxy-2,5-dimethyl-1,3-dioxan-5-yl)methanol
CID 54203877
4-(methoxymethyl)-2,6,7-trioxa-1lambda5-phosphabicyclo[2.2.2]octane 1-oxide
CID 3046039
5,5-bis(methoxymethyl)-1,3,2-dioxathiane 2,2-dioxide
CID 153021979
3-(methoxymethyl)oxetane-3-carbaldehyde
CID 167724786
2-methoxyoxiran-2-ol
CID 123437916
(2S,5R)-2,5-dimethoxy-2,5-dimethyl-1,4-dioxane
CID 738898
1,3-bis(methoxymethyl)-1,3-dimethylcyclobutane
CID 20689593

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(methoxymethyl)oxirane?
The IUPAC name of 2-methoxy-2-(methoxymethyl)oxirane (CID 172789195) is 2-methoxy-2-(methoxymethyl)oxirane.
What is the SMILES notation for 2-methoxy-2-(methoxymethyl)oxirane?
The canonical SMILES for 2-methoxy-2-(methoxymethyl)oxirane is COCC1(OC)CO1.
What is the InChIKey of 2-methoxy-2-(methoxymethyl)oxirane?
The InChIKey is PIBWUVQGVMJOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3/c1-6-3-5(7-2)4-8-5/h3-4H2,1-2H3.
What are the key properties of 2-methoxy-2-(methoxymethyl)oxirane?
2-methoxy-2-(methoxymethyl)oxirane has a molecular weight of 118.13 g/mol, XLogP of 0.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(methoxymethyl)oxirane is sourced from PubChem (CID 172789195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).