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

C7H10O3 — CID 10197742

IUPAC5-ethyl-4-methyloxolane-2,3-dione
SMILESCCC1OC(=O)C(=O)C1C
InChIInChI=1S/C7H10O3/c1-3-5-4(2)6(8)7(9)10-5/h4-5H,3H2,1-2H3
InChIKeyAYNMTGJJIRLCCD-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.53
Rot. Bonds1

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

5-ethyl-4-methyloxolane-2,3-dione (PubChem CID 10197742) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 5-ethyl-4-methyloxolane-2,3-dione.

Molecular Properties

Compound Name5-ethyl-4-methyloxolane-2,3-dione
PubChem CID10197742
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name5-ethyl-4-methyloxolane-2,3-dione
SMILESCCC1OC(=O)C(=O)C1C
InChIInChI=1S/C7H10O3/c1-3-5-4(2)6(8)7(9)10-5/h4-5H,3H2,1-2H3
InChIKeyAYNMTGJJIRLCCD-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': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-Acetyl-5-methyloxolan-2-one
CID 97846
2-Oxo-3-ethyl-4-butanolide
CID 21885350
5-Ethyl-4-methyloxolan-2-one
CID 13678507
3-Ethyloxolane-2,4-dione
CID 228433
2,4(3H,5H)-Furandione, 3,5-dimethyl-
CID 228435
2,3-Furandione, dihydro-4,5-dimethyl-
CID 10313142
3-Propanoyldihydrofuran-2(3h)-one
CID 273143
2(3H)-Furanone, 5-ethyldihydro-3-methyl-
CID 567167
(4S,5R)-5-ethyl-4-methyloxolan-2-one
CID 13678508
3(2H)-Furanone, dihydro-5-isopropyl-
CID 546095
2,3-Furandione, dihydro-4-methyl-5-propyl-
CID 112495
3-Acetyl-5-methyloxolane-2,4-dione
CID 12551486

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyloxolane-2,3-dione?
The IUPAC name of 5-ethyl-4-methyloxolane-2,3-dione (CID 10197742) is 5-ethyl-4-methyloxolane-2,3-dione.
What is the SMILES notation for 5-ethyl-4-methyloxolane-2,3-dione?
The canonical SMILES for 5-ethyl-4-methyloxolane-2,3-dione is CCC1OC(=O)C(=O)C1C.
What is the InChIKey of 5-ethyl-4-methyloxolane-2,3-dione?
The InChIKey is AYNMTGJJIRLCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-5-4(2)6(8)7(9)10-5/h4-5H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-methyloxolane-2,3-dione?
5-ethyl-4-methyloxolane-2,3-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-4-methyloxolane-2,3-dione is sourced from PubChem (CID 10197742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).