4,8-diethyl-1,5-dioxocane-2,6-dione

C10H16O4 — CID 171057524

IUPAC4,8-diethyl-1,5-dioxocane-2,6-dione
SMILESCCC1CC(=O)OC(CC)CC(=O)O1
InChIInChI=1S/C10H16O4/c1-3-7-5-9(11)14-8(4-2)6-10(12)13-7/h7-8H,3-6H2,1-2H3
InChIKeyYUXYRVCOORBROH-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.42
Rot. Bonds2

About 4,8-diethyl-1,5-dioxocane-2,6-dione

4,8-diethyl-1,5-dioxocane-2,6-dione (PubChem CID 171057524) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 4,8-diethyl-1,5-dioxocane-2,6-dione.

Molecular Properties

Compound Name4,8-diethyl-1,5-dioxocane-2,6-dione
PubChem CID171057524
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name4,8-diethyl-1,5-dioxocane-2,6-dione
SMILESCCC1CC(=O)OC(CC)CC(=O)O1
InChIInChI=1S/C10H16O4/c1-3-7-5-9(11)14-8(4-2)6-10(12)13-7/h7-8H,3-6H2,1-2H3
InChIKeyYUXYRVCOORBROH-UHFFFAOYSA-N
XLogP1.42
TPSA52.60 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 ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,8-diethyl-1,5-dioxocane-2,6-dione?
The IUPAC name of 4,8-diethyl-1,5-dioxocane-2,6-dione (CID 171057524) is 4,8-diethyl-1,5-dioxocane-2,6-dione.
What is the SMILES notation for 4,8-diethyl-1,5-dioxocane-2,6-dione?
The canonical SMILES for 4,8-diethyl-1,5-dioxocane-2,6-dione is CCC1CC(=O)OC(CC)CC(=O)O1.
What is the InChIKey of 4,8-diethyl-1,5-dioxocane-2,6-dione?
The InChIKey is YUXYRVCOORBROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-7-5-9(11)14-8(4-2)6-10(12)13-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 4,8-diethyl-1,5-dioxocane-2,6-dione?
4,8-diethyl-1,5-dioxocane-2,6-dione has a molecular weight of 200.23 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-diethyl-1,5-dioxocane-2,6-dione is sourced from PubChem (CID 171057524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).