5,5-diethyl-3,3-diphenyloxolane-2,4-dione

C20H20O3 — CID 17399151

IUPAC5,5-diethyl-3,3-diphenyloxolane-2,4-dione
SMILESCCC1(CC)OC(=O)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C20H20O3/c1-3-19(4-2)17(21)20(18(22)23-19,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyWVGZOHGFQKECFZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.66
Rot. Bonds4

About 5,5-diethyl-3,3-diphenyloxolane-2,4-dione

5,5-diethyl-3,3-diphenyloxolane-2,4-dione (PubChem CID 17399151) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5,5-diethyl-3,3-diphenyloxolane-2,4-dione.

Molecular Properties

Compound Name5,5-diethyl-3,3-diphenyloxolane-2,4-dione
PubChem CID17399151
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name5,5-diethyl-3,3-diphenyloxolane-2,4-dione
SMILESCCC1(CC)OC(=O)C(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C20H20O3/c1-3-19(4-2)17(21)20(18(22)23-19,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyWVGZOHGFQKECFZ-UHFFFAOYSA-N
XLogP3.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.66
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

[(2R,3R)-2-ethyl-3-methyl-3-phenyloxiran-2-yl]methanol
CID 101403804
(3S,5S)-3,5-diethyl-3-hydroxy-5-phenyloxolan-2-one
CID 100946476
1,4-dioxane;bis(5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione)
CID 139042175
tetrakis(1,4-dioxane);tetrakis(5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione)
CID 139042176
(5S)-2,2,5-trimethyl-5-phenyl-1,3-dioxolan-4-one
CID 129405830
3-phenyl-3-propyloxolane-2,5-dione
CID 43134890
2,2-dimethyl-5-phenyl-5-propyl-1,3-dioxolan-4-one
CID 175481481
(3S,4S)-3-ethyl-3-phenyl-4-(trichloromethyl)oxetan-2-one
CID 122369354
5-ethyl-4-oxo-5-phenylfuran-2-carboxylic acid
CID 11148966
sodium 5-ethyl-4-oxo-5-phenyl-1,3-oxazol-2-olate
CID 23686614
(3R,4S)-3-ethyl-3-phenyl-4-(trichloromethyl)oxetan-2-one
CID 122369347
5-ethyl-5-phenyl-1,3-bis(trimethylsilyl)imidazolidine-2,4-dione
CID 140848439

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-3,3-diphenyloxolane-2,4-dione?
The IUPAC name of 5,5-diethyl-3,3-diphenyloxolane-2,4-dione (CID 17399151) is 5,5-diethyl-3,3-diphenyloxolane-2,4-dione.
What is the SMILES notation for 5,5-diethyl-3,3-diphenyloxolane-2,4-dione?
The canonical SMILES for 5,5-diethyl-3,3-diphenyloxolane-2,4-dione is CCC1(CC)OC(=O)C(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 5,5-diethyl-3,3-diphenyloxolane-2,4-dione?
The InChIKey is WVGZOHGFQKECFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-3-19(4-2)17(21)20(18(22)23-19,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.
What are the key properties of 5,5-diethyl-3,3-diphenyloxolane-2,4-dione?
5,5-diethyl-3,3-diphenyloxolane-2,4-dione has a molecular weight of 308.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-3,3-diphenyloxolane-2,4-dione is sourced from PubChem (CID 17399151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).