2,2-diethyl-1,3-dioxocane-4,8-dione

C10H16O4 — CID 70532987

IUPAC2,2-diethyl-1,3-dioxocane-4,8-dione
SMILESCCC1(CC)OC(=O)CCCC(=O)O1
InChIInChI=1S/C10H16O4/c1-3-10(4-2)13-8(11)6-5-7-9(12)14-10/h3-7H2,1-2H3
InChIKeyBMGWSKOIJJGIIG-UHFFFAOYSA-N
MW200.23 g/mol
LogP1.77
Rot. Bonds2

About 2,2-diethyl-1,3-dioxocane-4,8-dione

2,2-diethyl-1,3-dioxocane-4,8-dione (PubChem CID 70532987) has the molecular formula C10H16O4 and a molecular weight of 200.23 g/mol. Its IUPAC name is 2,2-diethyl-1,3-dioxocane-4,8-dione.

Molecular Properties

Compound Name2,2-diethyl-1,3-dioxocane-4,8-dione
PubChem CID70532987
Molecular FormulaC10H16O4
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name2,2-diethyl-1,3-dioxocane-4,8-dione
SMILESCCC1(CC)OC(=O)CCCC(=O)O1
InChIInChI=1S/C10H16O4/c1-3-10(4-2)13-8(11)6-5-7-9(12)14-10/h3-7H2,1-2H3
InChIKeyBMGWSKOIJJGIIG-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-1,3-dioxocane-4,8-dione?
The IUPAC name of 2,2-diethyl-1,3-dioxocane-4,8-dione (CID 70532987) is 2,2-diethyl-1,3-dioxocane-4,8-dione.
What is the SMILES notation for 2,2-diethyl-1,3-dioxocane-4,8-dione?
The canonical SMILES for 2,2-diethyl-1,3-dioxocane-4,8-dione is CCC1(CC)OC(=O)CCCC(=O)O1.
What is the InChIKey of 2,2-diethyl-1,3-dioxocane-4,8-dione?
The InChIKey is BMGWSKOIJJGIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4/c1-3-10(4-2)13-8(11)6-5-7-9(12)14-10/h3-7H2,1-2H3.
What are the key properties of 2,2-diethyl-1,3-dioxocane-4,8-dione?
2,2-diethyl-1,3-dioxocane-4,8-dione has a molecular weight of 200.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-1,3-dioxocane-4,8-dione is sourced from PubChem (CID 70532987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).