4-ethyloxolan-2-one

C6H10O2 — CID 27893

IUPAC4-ethyloxolan-2-one
SMILESCCC1COC(=O)C1
InChIInChI=1S/C6H10O2/c1-2-5-3-6(7)8-4-5/h5H,2-4H2,1H3
InChIKeyMDQZVJSUBKPTHG-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.96
Rot. Bonds1

About 4-ethyloxolan-2-one

4-ethyloxolan-2-one (PubChem CID 27893) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 4-ethyloxolan-2-one.

Molecular Properties

Compound Name4-ethyloxolan-2-one
PubChem CID27893
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name4-ethyloxolan-2-one
SMILESCCC1COC(=O)C1
InChIInChI=1S/C6H10O2/c1-2-5-3-6(7)8-4-5/h5H,2-4H2,1H3
InChIKeyMDQZVJSUBKPTHG-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 3-methylpentanoate
CID 560255
alpha-Methylbutyrolactone
CID 98323
Dihydro-3,5-dimethyl-2(3H)-furanone
CID 21227
alpha-Isopropyl-alpha-methyl-gamma-butyrolactone
CID 131516
beta-Ethyl-beta-methyl-gamma-butyrolactone
CID 39737
3-Ethyldihydro-3-methyl-2(3H)-furanone
CID 169232
3,3-Diethyloxolan-2-one
CID 14872649
2-Acetylbutyrolactone
CID 10601
beta-Methyl-gamma-butyrolactone
CID 98451
2(3H)-Furanone, 4-acetyldihydro-
CID 97756
3-Ethyloxolan-2-one
CID 257369
Methyl 3-methylpentanoate
CID 519891

Frequently Asked Questions

What is the IUPAC name of 4-ethyloxolan-2-one?
The IUPAC name of 4-ethyloxolan-2-one (CID 27893) is 4-ethyloxolan-2-one.
What is the SMILES notation for 4-ethyloxolan-2-one?
The canonical SMILES for 4-ethyloxolan-2-one is CCC1COC(=O)C1.
What is the InChIKey of 4-ethyloxolan-2-one?
The InChIKey is MDQZVJSUBKPTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-2-5-3-6(7)8-4-5/h5H,2-4H2,1H3.
What are the key properties of 4-ethyloxolan-2-one?
4-ethyloxolan-2-one has a molecular weight of 114.14 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyloxolan-2-one is sourced from PubChem (CID 27893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).