4-ethyloxolan-3-one

C6H10O2 — CID 83478541

IUPAC4-ethyloxolan-3-one
SMILESCCC1COCC1=O
InChIInChI=1S/C6H10O2/c1-2-5-3-8-4-6(5)7/h5H,2-4H2,1H3
InChIKeyJOANXCKTPWMJCV-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.61
Rot. Bonds1

About 4-ethyloxolan-3-one

4-ethyloxolan-3-one (PubChem CID 83478541) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 4-ethyloxolan-3-one.

Molecular Properties

Compound Name4-ethyloxolan-3-one
PubChem CID83478541
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name4-ethyloxolan-3-one
SMILESCCC1COCC1=O
InChIInChI=1S/C6H10O2/c1-2-5-3-8-4-6(5)7/h5H,2-4H2,1H3
InChIKeyJOANXCKTPWMJCV-UHFFFAOYSA-N
XLogP0.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyloxolan-3-one?
The IUPAC name of 4-ethyloxolan-3-one (CID 83478541) is 4-ethyloxolan-3-one.
What is the SMILES notation for 4-ethyloxolan-3-one?
The canonical SMILES for 4-ethyloxolan-3-one is CCC1COCC1=O.
What is the InChIKey of 4-ethyloxolan-3-one?
The InChIKey is JOANXCKTPWMJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-5-3-8-4-6(5)7/h5H,2-4H2,1H3.
What are the key properties of 4-ethyloxolan-3-one?
4-ethyloxolan-3-one has a molecular weight of 114.14 g/mol, XLogP of 0.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloxolan-3-one is sourced from PubChem (CID 83478541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).