2,2,3-triethyloxirane

C8H16O — CID 551289

IUPAC2,2,3-triethyloxirane
SMILESCCC1OC1(CC)CC
InChIInChI=1S/C8H16O/c1-4-7-8(5-2,6-3)9-7/h7H,4-6H2,1-3H3
InChIKeyCWJMXJPRLGJLKD-UHFFFAOYSA-N
MW128.22 g/mol
LogP2.35
Rot. Bonds3

About 2,2,3-triethyloxirane

2,2,3-triethyloxirane (PubChem CID 551289) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is 2,2,3-triethyloxirane.

Molecular Properties

Compound Name2,2,3-triethyloxirane
PubChem CID551289
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name2,2,3-triethyloxirane
SMILESCCC1OC1(CC)CC
InChIInChI=1S/C8H16O/c1-4-7-8(5-2,6-3)9-7/h7H,4-6H2,1-3H3
InChIKeyCWJMXJPRLGJLKD-UHFFFAOYSA-N
XLogP2.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,2,3-triethyloxirane?
The IUPAC name of 2,2,3-triethyloxirane (CID 551289) is 2,2,3-triethyloxirane.
What is the SMILES notation for 2,2,3-triethyloxirane?
The canonical SMILES for 2,2,3-triethyloxirane is CCC1OC1(CC)CC.
What is the InChIKey of 2,2,3-triethyloxirane?
The InChIKey is CWJMXJPRLGJLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-4-7-8(5-2,6-3)9-7/h7H,4-6H2,1-3H3.
What are the key properties of 2,2,3-triethyloxirane?
2,2,3-triethyloxirane has a molecular weight of 128.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-triethyloxirane is sourced from PubChem (CID 551289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).