2-(1-methoxyethyl)-2-methyloxirane

C6H12O2 — CID 58604354

IUPAC2-(1-methoxyethyl)-2-methyloxirane
SMILESCOC(C)C1(C)CO1
InChIInChI=1S/C6H12O2/c1-5(7-3)6(2)4-8-6/h5H,4H2,1-3H3
InChIKeyUNABAOUGNOATDN-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.81
Rot. Bonds2

About 2-(1-methoxyethyl)-2-methyloxirane

2-(1-methoxyethyl)-2-methyloxirane (PubChem CID 58604354) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-2-methyloxirane.

Molecular Properties

Compound Name2-(1-methoxyethyl)-2-methyloxirane
PubChem CID58604354
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-(1-methoxyethyl)-2-methyloxirane
SMILESCOC(C)C1(C)CO1
InChIInChI=1S/C6H12O2/c1-5(7-3)6(2)4-8-6/h5H,4H2,1-3H3
InChIKeyUNABAOUGNOATDN-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 2-(1-methoxyethyl)-2-methyloxirane?
The IUPAC name of 2-(1-methoxyethyl)-2-methyloxirane (CID 58604354) is 2-(1-methoxyethyl)-2-methyloxirane.
What is the SMILES notation for 2-(1-methoxyethyl)-2-methyloxirane?
The canonical SMILES for 2-(1-methoxyethyl)-2-methyloxirane is COC(C)C1(C)CO1.
What is the InChIKey of 2-(1-methoxyethyl)-2-methyloxirane?
The InChIKey is UNABAOUGNOATDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-5(7-3)6(2)4-8-6/h5H,4H2,1-3H3.
What are the key properties of 2-(1-methoxyethyl)-2-methyloxirane?
2-(1-methoxyethyl)-2-methyloxirane 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 2-(1-methoxyethyl)-2-methyloxirane is sourced from PubChem (CID 58604354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).