5-ethyl-3-methyloxolane-2,4-dione

C7H10O3 — CID 77476558

IUPAC5-ethyl-3-methyloxolane-2,4-dione
SMILESCCC1OC(=O)C(C)C1=O
InChIInChI=1S/C7H10O3/c1-3-5-6(8)4(2)7(9)10-5/h4-5H,3H2,1-2H3
InChIKeyMZLNWMIFBPDIEH-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.53
Rot. Bonds1

About 5-ethyl-3-methyloxolane-2,4-dione

5-ethyl-3-methyloxolane-2,4-dione (PubChem CID 77476558) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 5-ethyl-3-methyloxolane-2,4-dione.

Molecular Properties

Compound Name5-ethyl-3-methyloxolane-2,4-dione
PubChem CID77476558
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name5-ethyl-3-methyloxolane-2,4-dione
SMILESCCC1OC(=O)C(C)C1=O
InChIInChI=1S/C7H10O3/c1-3-5-6(8)4(2)7(9)10-5/h4-5H,3H2,1-2H3
InChIKeyMZLNWMIFBPDIEH-UHFFFAOYSA-N
XLogP0.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-ethyloxiran-2-one
CID 21297762
(3R,5S,6R)-6-ethyl-3,5-dimethyloxane-2,4-dione
CID 53348666
(3S,5R)-5-ethyl-3-prop-2-enyloxolane-2,4-dione
CID 10329699
(3S,6S)-6-ethyl-3-methylmorpholine-2,5-dione
CID 93499117
3-butyloxiran-2-one
CID 18762090
3-[[methyl(propyl)amino]methyl]oxiran-2-one
CID 123308186
(1R,12R,17S)-3-ethyl-7-hydroxy-6,8,10,12,15,15,17-heptamethyl-4,14,16-trioxabicyclo[11.3.1]heptadecane-2,5-dione
CID 142203936
5-ethyl-2-propan-2-yl-1,3-dioxolan-4-one
CID 73236280
2,5-diethyl-1,3-dioxane-4,6-dione
CID 162700878
3,6-diheptyl-1,4-dioxane-2,5-dione
CID 14460388
ethane;5-ethyloxolane-2,4-dione
CID 143055068
(3S,6S)-3-(hydroxymethyl)-6-methyl-1,4-dioxane-2,5-dione
CID 59819049

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyloxolane-2,4-dione?
The IUPAC name of 5-ethyl-3-methyloxolane-2,4-dione (CID 77476558) is 5-ethyl-3-methyloxolane-2,4-dione.
What is the SMILES notation for 5-ethyl-3-methyloxolane-2,4-dione?
The canonical SMILES for 5-ethyl-3-methyloxolane-2,4-dione is CCC1OC(=O)C(C)C1=O.
What is the InChIKey of 5-ethyl-3-methyloxolane-2,4-dione?
The InChIKey is MZLNWMIFBPDIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-5-6(8)4(2)7(9)10-5/h4-5H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-methyloxolane-2,4-dione?
5-ethyl-3-methyloxolane-2,4-dione has a molecular weight of 142.15 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyloxolane-2,4-dione is sourced from PubChem (CID 77476558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).