2-ethoxy-2-ethyloxirane

C6H12O2 — CID 87059736

IUPAC2-ethoxy-2-ethyloxirane
SMILESCCOC1(CC)CO1
InChIInChI=1S/C6H12O2/c1-3-6(5-8-6)7-4-2/h3-5H2,1-2H3
InChIKeyFZKSOQQMBCLXII-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.16
Rot. Bonds3

About 2-ethoxy-2-ethyloxirane

2-ethoxy-2-ethyloxirane (PubChem CID 87059736) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-ethoxy-2-ethyloxirane.

Molecular Properties

Compound Name2-ethoxy-2-ethyloxirane
PubChem CID87059736
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-ethoxy-2-ethyloxirane
SMILESCCOC1(CC)CO1
InChIInChI=1S/C6H12O2/c1-3-6(5-8-6)7-4-2/h3-5H2,1-2H3
InChIKeyFZKSOQQMBCLXII-UHFFFAOYSA-N
XLogP1.16
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.16
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-ethoxy-2-ethyloxirane?
The IUPAC name of 2-ethoxy-2-ethyloxirane (CID 87059736) is 2-ethoxy-2-ethyloxirane.
What is the SMILES notation for 2-ethoxy-2-ethyloxirane?
The canonical SMILES for 2-ethoxy-2-ethyloxirane is CCOC1(CC)CO1.
What is the InChIKey of 2-ethoxy-2-ethyloxirane?
The InChIKey is FZKSOQQMBCLXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-6(5-8-6)7-4-2/h3-5H2,1-2H3.
What are the key properties of 2-ethoxy-2-ethyloxirane?
2-ethoxy-2-ethyloxirane has a molecular weight of 116.16 g/mol, XLogP of 1.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyloxirane is sourced from PubChem (CID 87059736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).