2,3-diethoxy-1,4-dioxane

C8H16O4 — CID 12536103

IUPAC2,3-diethoxy-1,4-dioxane
SMILESCCOC1OCCOC1OCC
InChIInChI=1S/C8H16O4/c1-3-9-7-8(10-4-2)12-6-5-11-7/h7-8H,3-6H2,1-2H3
InChIKeyVDIKXUVXTWMNQI-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.76
Rot. Bonds4

About 2,3-diethoxy-1,4-dioxane

2,3-diethoxy-1,4-dioxane (PubChem CID 12536103) has the molecular formula C8H16O4 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2,3-diethoxy-1,4-dioxane.

Molecular Properties

Compound Name2,3-diethoxy-1,4-dioxane
PubChem CID12536103
Molecular FormulaC8H16O4
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name2,3-diethoxy-1,4-dioxane
SMILESCCOC1OCCOC1OCC
InChIInChI=1S/C8H16O4/c1-3-9-7-8(10-4-2)12-6-5-11-7/h7-8H,3-6H2,1-2H3
InChIKeyVDIKXUVXTWMNQI-UHFFFAOYSA-N
XLogP0.76
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-diethoxy-1,4-dioxane?
The IUPAC name of 2,3-diethoxy-1,4-dioxane (CID 12536103) is 2,3-diethoxy-1,4-dioxane.
What is the SMILES notation for 2,3-diethoxy-1,4-dioxane?
The canonical SMILES for 2,3-diethoxy-1,4-dioxane is CCOC1OCCOC1OCC.
What is the InChIKey of 2,3-diethoxy-1,4-dioxane?
The InChIKey is VDIKXUVXTWMNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O4/c1-3-9-7-8(10-4-2)12-6-5-11-7/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,3-diethoxy-1,4-dioxane?
2,3-diethoxy-1,4-dioxane has a molecular weight of 176.21 g/mol, XLogP of 0.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethoxy-1,4-dioxane is sourced from PubChem (CID 12536103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).