2-ethoxy-1,3-dioxane-4,6-dione

C6H8O5 — CID 53405380

IUPAC2-ethoxy-1,3-dioxane-4,6-dione
SMILESCCOC1OC(=O)CC(=O)O1
InChIInChI=1S/C6H8O5/c1-2-9-6-10-4(7)3-5(8)11-6/h6H,2-3H2,1H3
InChIKeyDERAACKMMNJAFU-UHFFFAOYSA-N
MW160.12 g/mol
LogP-0.20
Rot. Bonds2

About 2-ethoxy-1,3-dioxane-4,6-dione

2-ethoxy-1,3-dioxane-4,6-dione (PubChem CID 53405380) has the molecular formula C6H8O5 and a molecular weight of 160.12 g/mol. Its IUPAC name is 2-ethoxy-1,3-dioxane-4,6-dione.

Molecular Properties

Compound Name2-ethoxy-1,3-dioxane-4,6-dione
PubChem CID53405380
Molecular FormulaC6H8O5
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name2-ethoxy-1,3-dioxane-4,6-dione
SMILESCCOC1OC(=O)CC(=O)O1
InChIInChI=1S/C6H8O5/c1-2-9-6-10-4(7)3-5(8)11-6/h6H,2-3H2,1H3
InChIKeyDERAACKMMNJAFU-UHFFFAOYSA-N
XLogP-0.20
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-ethoxy-1,3-dioxane-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3-dioxane-4,6-dione?
The IUPAC name of 2-ethoxy-1,3-dioxane-4,6-dione (CID 53405380) is 2-ethoxy-1,3-dioxane-4,6-dione.
What is the SMILES notation for 2-ethoxy-1,3-dioxane-4,6-dione?
The canonical SMILES for 2-ethoxy-1,3-dioxane-4,6-dione is CCOC1OC(=O)CC(=O)O1.
What is the InChIKey of 2-ethoxy-1,3-dioxane-4,6-dione?
The InChIKey is DERAACKMMNJAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O5/c1-2-9-6-10-4(7)3-5(8)11-6/h6H,2-3H2,1H3.
What are the key properties of 2-ethoxy-1,3-dioxane-4,6-dione?
2-ethoxy-1,3-dioxane-4,6-dione has a molecular weight of 160.12 g/mol, XLogP of -0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3-dioxane-4,6-dione is sourced from PubChem (CID 53405380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).