2-(1,3-dioxol-2-yl)-1,4-dioxane

C7H10O4 — CID 141015106

IUPAC2-(1,3-dioxol-2-yl)-1,4-dioxane
SMILESC1=COC(C2COCCO2)O1
InChIInChI=1S/C7H10O4/c1-2-9-6(5-8-1)7-10-3-4-11-7/h3-4,6-7H,1-2,5H2
InChIKeyOBQMELFBOFAQFK-UHFFFAOYSA-N
MW158.15 g/mol
LogP0.25
Rot. Bonds1

About 2-(1,3-dioxol-2-yl)-1,4-dioxane

2-(1,3-dioxol-2-yl)-1,4-dioxane (PubChem CID 141015106) has the molecular formula C7H10O4 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2-(1,3-dioxol-2-yl)-1,4-dioxane.

Molecular Properties

Compound Name2-(1,3-dioxol-2-yl)-1,4-dioxane
PubChem CID141015106
Molecular FormulaC7H10O4
Molecular Weight158.15 g/mol
Exact Mass158.06
IUPAC Name2-(1,3-dioxol-2-yl)-1,4-dioxane
SMILESC1=COC(C2COCCO2)O1
InChIInChI=1S/C7H10O4/c1-2-9-6(5-8-1)7-10-3-4-11-7/h3-4,6-7H,1-2,5H2
InChIKeyOBQMELFBOFAQFK-UHFFFAOYSA-N
XLogP0.25
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-dioxol-2-yl)-1,4-dioxane 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-(1,3-dioxol-2-yl)-1,4-dioxane?
The IUPAC name of 2-(1,3-dioxol-2-yl)-1,4-dioxane (CID 141015106) is 2-(1,3-dioxol-2-yl)-1,4-dioxane.
What is the SMILES notation for 2-(1,3-dioxol-2-yl)-1,4-dioxane?
The canonical SMILES for 2-(1,3-dioxol-2-yl)-1,4-dioxane is C1=COC(C2COCCO2)O1.
What is the InChIKey of 2-(1,3-dioxol-2-yl)-1,4-dioxane?
The InChIKey is OBQMELFBOFAQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O4/c1-2-9-6(5-8-1)7-10-3-4-11-7/h3-4,6-7H,1-2,5H2.
What are the key properties of 2-(1,3-dioxol-2-yl)-1,4-dioxane?
2-(1,3-dioxol-2-yl)-1,4-dioxane has a molecular weight of 158.15 g/mol, XLogP of 0.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxol-2-yl)-1,4-dioxane is sourced from PubChem (CID 141015106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).