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

C7H10O3 — CID 12948839

IUPAC4-ethyl-4-methyloxolane-2,3-dione
SMILESCCC1(C)COC(=O)C1=O
InChIInChI=1S/C7H10O3/c1-3-7(2)4-10-6(9)5(7)8/h3-4H2,1-2H3
InChIKeyVKWMMUSKPQRKJY-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.53
Rot. Bonds1

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

4-ethyl-4-methyloxolane-2,3-dione (PubChem CID 12948839) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-ethyl-4-methyloxolane-2,3-dione.

Molecular Properties

Compound Name4-ethyl-4-methyloxolane-2,3-dione
PubChem CID12948839
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-ethyl-4-methyloxolane-2,3-dione
SMILESCCC1(C)COC(=O)C1=O
InChIInChI=1S/C7H10O3/c1-3-7(2)4-10-6(9)5(7)8/h3-4H2,1-2H3
InChIKeyVKWMMUSKPQRKJY-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

(3S)-3-ethyl-3-methyloxetan-2-one
CID 102402061
3-ethyl-3,4-dimethyl-2H-pyran-6-one
CID 12872506
5-ethyl-5-methyl-3-methylideneoxan-2-one
CID 101264054
3-ethyl-3-methyl-2H-1-benzofuran
CID 145054107
(2-ethyl-5,6-dioxo-1,4-dioxan-2-yl)-difluoro-methylphosphanium
CID 167188766
3-ethyl-3-methyloxolane-2,5-dione;methane
CID 157130864
3,5-diethyl-3,5-dimethyloxolan-2-one
CID 14640406
4-ethyl-1,4-dimethylpyrrolidine-2,3-dione
CID 141176077
3,5,5-triethyl-3-methyloxolan-2-one
CID 123494299
3-(iodomethyl)-3-methyl-2H-chromen-4-one
CID 10590440
2-ethyl-2-methylcyclopentane-1,3-dione
CID 574386
3-ethyl-3-methyloxolan-2-one;3-methylideneoxolan-2-one
CID 158117388

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-methyloxolane-2,3-dione?
The IUPAC name of 4-ethyl-4-methyloxolane-2,3-dione (CID 12948839) is 4-ethyl-4-methyloxolane-2,3-dione.
What is the SMILES notation for 4-ethyl-4-methyloxolane-2,3-dione?
The canonical SMILES for 4-ethyl-4-methyloxolane-2,3-dione is CCC1(C)COC(=O)C1=O.
What is the InChIKey of 4-ethyl-4-methyloxolane-2,3-dione?
The InChIKey is VKWMMUSKPQRKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-3-7(2)4-10-6(9)5(7)8/h3-4H2,1-2H3.
What are the key properties of 4-ethyl-4-methyloxolane-2,3-dione?
4-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 4-ethyl-4-methyloxolane-2,3-dione is sourced from PubChem (CID 12948839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).