5,5-diethyl-1,3-dioxocane-4,8-dione

C10H16O4 — CID 54503867

IUPAC5,5-diethyl-1,3-dioxocane-4,8-dione
SMILESCCC1(CC)CCC(=O)OCOC1=O
InChIInChI=1S/C10H16O4/c1-3-10(4-2)6-5-8(11)13-7-14-9(10)12/h3-7H2,1-2H3
InChIKeyYEINHBSTBYGDOF-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.63
Rot. Bonds2

About 5,5-diethyl-1,3-dioxocane-4,8-dione

5,5-diethyl-1,3-dioxocane-4,8-dione (PubChem CID 54503867) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 5,5-diethyl-1,3-dioxocane-4,8-dione.

Molecular Properties

Compound Name5,5-diethyl-1,3-dioxocane-4,8-dione
PubChem CID54503867
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name5,5-diethyl-1,3-dioxocane-4,8-dione
SMILESCCC1(CC)CCC(=O)OCOC1=O
InChIInChI=1S/C10H16O4/c1-3-10(4-2)6-5-8(11)13-7-14-9(10)12/h3-7H2,1-2H3
InChIKeyYEINHBSTBYGDOF-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1,3-dioxocane-4,8-dione?
The IUPAC name of 5,5-diethyl-1,3-dioxocane-4,8-dione (CID 54503867) is 5,5-diethyl-1,3-dioxocane-4,8-dione.
What is the SMILES notation for 5,5-diethyl-1,3-dioxocane-4,8-dione?
The canonical SMILES for 5,5-diethyl-1,3-dioxocane-4,8-dione is CCC1(CC)CCC(=O)OCOC1=O.
What is the InChIKey of 5,5-diethyl-1,3-dioxocane-4,8-dione?
The InChIKey is YEINHBSTBYGDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-10(4-2)6-5-8(11)13-7-14-9(10)12/h3-7H2,1-2H3.
What are the key properties of 5,5-diethyl-1,3-dioxocane-4,8-dione?
5,5-diethyl-1,3-dioxocane-4,8-dione has a molecular weight of 200.23 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1,3-dioxocane-4,8-dione is sourced from PubChem (CID 54503867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).