4-ethyloxetan-2-one

C5H8O2 — CID 10909499

IUPAC4-ethyloxetan-2-one
SMILESCCC1CC(=O)O1
InChIInChI=1S/C5H8O2/c1-2-4-3-5(6)7-4/h4H,2-3H2,1H3
InChIKeyQTWLQDVFHKLZRA-UHFFFAOYSA-N
MW100.12 g/mol
LogP0.71
Rot. Bonds1

About 4-ethyloxetan-2-one

4-ethyloxetan-2-one (PubChem CID 10909499) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is 4-ethyloxetan-2-one.

Molecular Properties

Compound Name4-ethyloxetan-2-one
PubChem CID10909499
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name4-ethyloxetan-2-one
SMILESCCC1CC(=O)O1
InChIInChI=1S/C5H8O2/c1-2-4-3-5(6)7-4/h4H,2-3H2,1H3
InChIKeyQTWLQDVFHKLZRA-UHFFFAOYSA-N
XLogP0.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyloxetan-2-one?
The IUPAC name of 4-ethyloxetan-2-one (CID 10909499) is 4-ethyloxetan-2-one.
What is the SMILES notation for 4-ethyloxetan-2-one?
The canonical SMILES for 4-ethyloxetan-2-one is CCC1CC(=O)O1.
What is the InChIKey of 4-ethyloxetan-2-one?
The InChIKey is QTWLQDVFHKLZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-4-3-5(6)7-4/h4H,2-3H2,1H3.
What are the key properties of 4-ethyloxetan-2-one?
4-ethyloxetan-2-one has a molecular weight of 100.12 g/mol, XLogP of 0.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloxetan-2-one is sourced from PubChem (CID 10909499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).