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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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).