5,6-diethyl-1,4-dioxine-2,3-dione;ethane

C10H16O4 — CID 145154471

IUPAC5,6-diethyl-1,4-dioxine-2,3-dione;ethane
SMILESCC.CCc1oc(=O)c(=O)oc1CC
InChIInChI=1S/C8H10O4.C2H6/c1-3-5-6(4-2)12-8(10)7(9)11-5;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyMAUMTMWIFIILNC-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.74
Rot. Bonds2

About 5,6-diethyl-1,4-dioxine-2,3-dione;ethane

5,6-diethyl-1,4-dioxine-2,3-dione;ethane (PubChem CID 145154471) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 5,6-diethyl-1,4-dioxine-2,3-dione;ethane.

Molecular Properties

Compound Name5,6-diethyl-1,4-dioxine-2,3-dione;ethane
PubChem CID145154471
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name5,6-diethyl-1,4-dioxine-2,3-dione;ethane
SMILESCC.CCc1oc(=O)c(=O)oc1CC
InChIInChI=1S/C8H10O4.C2H6/c1-3-5-6(4-2)12-8(10)7(9)11-5;1-2/h3-4H2,1-2H3;1-2H3
InChIKeyMAUMTMWIFIILNC-UHFFFAOYSA-N
XLogP1.74
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-1,4-dioxine-2,3-dione;ethane?
The IUPAC name of 5,6-diethyl-1,4-dioxine-2,3-dione;ethane (CID 145154471) is 5,6-diethyl-1,4-dioxine-2,3-dione;ethane.
What is the SMILES notation for 5,6-diethyl-1,4-dioxine-2,3-dione;ethane?
The canonical SMILES for 5,6-diethyl-1,4-dioxine-2,3-dione;ethane is CC.CCc1oc(=O)c(=O)oc1CC.
What is the InChIKey of 5,6-diethyl-1,4-dioxine-2,3-dione;ethane?
The InChIKey is MAUMTMWIFIILNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4.C2H6/c1-3-5-6(4-2)12-8(10)7(9)11-5;1-2/h3-4H2,1-2H3;1-2H3.
What are the key properties of 5,6-diethyl-1,4-dioxine-2,3-dione;ethane?
5,6-diethyl-1,4-dioxine-2,3-dione;ethane has a molecular weight of 200.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-1,4-dioxine-2,3-dione;ethane is sourced from PubChem (CID 145154471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).