(4R)-4-ethyloxetan-2-one

C5H8O2 — CID 14325240

IUPAC(4R)-4-ethyloxetan-2-one
SMILESCC[C@@H]1CC(=O)O1
InChIInChI=1S/C5H8O2/c1-2-4-3-5(6)7-4/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyQTWLQDVFHKLZRA-SCSAIBSYSA-N
MW100.12 g/mol
LogP0.71
Rot. Bonds1

About (4R)-4-ethyloxetan-2-one

(4R)-4-ethyloxetan-2-one (PubChem CID 14325240) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (4R)-4-ethyloxetan-2-one.

Molecular Properties

Compound Name(4R)-4-ethyloxetan-2-one
PubChem CID14325240
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(4R)-4-ethyloxetan-2-one
SMILESCC[C@@H]1CC(=O)O1
InChIInChI=1S/C5H8O2/c1-2-4-3-5(6)7-4/h4H,2-3H2,1H3/t4-/m1/s1
InChIKeyQTWLQDVFHKLZRA-SCSAIBSYSA-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 (4R)-4-ethyloxetan-2-one?
The IUPAC name of (4R)-4-ethyloxetan-2-one (CID 14325240) is (4R)-4-ethyloxetan-2-one.
What is the SMILES notation for (4R)-4-ethyloxetan-2-one?
The canonical SMILES for (4R)-4-ethyloxetan-2-one is CC[C@@H]1CC(=O)O1.
What is the InChIKey of (4R)-4-ethyloxetan-2-one?
The InChIKey is QTWLQDVFHKLZRA-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-4-3-5(6)7-4/h4H,2-3H2,1H3/t4-/m1/s1.
What are the key properties of (4R)-4-ethyloxetan-2-one?
(4R)-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 (4R)-4-ethyloxetan-2-one is sourced from PubChem (CID 14325240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).