2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid

C10H16O8 — CID 66981661

IUPAC2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid
SMILESCCOC1(C(=O)O)COC(OCC)(C(=O)O)CO1
InChIInChI=1S/C10H16O8/c1-3-15-9(7(11)12)5-18-10(6-17-9,8(13)14)16-4-2/h3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyPKNYVEXSSPUSJY-UHFFFAOYSA-N
MW264.23 g/mol
LogP-0.33
Rot. Bonds6

About 2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid

2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid (PubChem CID 66981661) has the molecular formula C10H16O8 and a molecular weight of 264.23 g/mol. Its IUPAC name is 2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid.

Molecular Properties

Compound Name2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid
PubChem CID66981661
Molecular FormulaC10H16O8
Molecular Weight264.23 g/mol
Exact Mass264.08
IUPAC Name2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid
SMILESCCOC1(C(=O)O)COC(OCC)(C(=O)O)CO1
InChIInChI=1S/C10H16O8/c1-3-15-9(7(11)12)5-18-10(6-17-9,8(13)14)16-4-2/h3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyPKNYVEXSSPUSJY-UHFFFAOYSA-N
XLogP-0.33
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.23
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid?
The IUPAC name of 2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid (CID 66981661) is 2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid.
What is the SMILES notation for 2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid?
The canonical SMILES for 2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid is CCOC1(C(=O)O)COC(OCC)(C(=O)O)CO1.
What is the InChIKey of 2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid?
The InChIKey is PKNYVEXSSPUSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O8/c1-3-15-9(7(11)12)5-18-10(6-17-9,8(13)14)16-4-2/h3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid?
2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid has a molecular weight of 264.23 g/mol, XLogP of -0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethoxy-1,4-dioxane-2,5-dicarboxylic acid is sourced from PubChem (CID 66981661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).