2,5-dimethoxy-1,4-dioxane

C6H12O4 — CID 12500492

IUPAC2,5-dimethoxy-1,4-dioxane
SMILESCOC1COC(OC)CO1
InChIInChI=1S/C6H12O4/c1-7-5-3-10-6(8-2)4-9-5/h5-6H,3-4H2,1-2H3
InChIKeyDYRQUBUCDGTDTM-UHFFFAOYSA-N
MW148.16 g/mol
LogP-0.02
Rot. Bonds2

About 2,5-dimethoxy-1,4-dioxane

2,5-dimethoxy-1,4-dioxane (PubChem CID 12500492) has the molecular formula C6H12O4 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2,5-dimethoxy-1,4-dioxane.

Molecular Properties

Compound Name2,5-dimethoxy-1,4-dioxane
PubChem CID12500492
Molecular FormulaC6H12O4
Molecular Weight148.16 g/mol
Exact Mass148.07
IUPAC Name2,5-dimethoxy-1,4-dioxane
SMILESCOC1COC(OC)CO1
InChIInChI=1S/C6H12O4/c1-7-5-3-10-6(8-2)4-9-5/h5-6H,3-4H2,1-2H3
InChIKeyDYRQUBUCDGTDTM-UHFFFAOYSA-N
XLogP-0.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Paraldehyde
CID 31264
1,1-Dimethoxy-2-(2-methoxyethoxy)ethane
CID 56738
1,1,2,2-Tetramethoxyethane
CID 554434
6-Methyl-2,5,7,10-tetraoxaundecane
CID 82406
Methoxyacetaldehyde-diethylacetal
CID 78539
1,1,2,2-Tetraethoxyethane
CID 77599
1,1'-Oxybis(2,2-diethoxyethane)
CID 92620
6-(2-Methoxyethoxy)-2,5,8,11-tetraoxadodecane
CID 44151853
2-Ethoxy-1,1-dimethoxyethane
CID 98809
2-Methoxy-1,4-dioxane
CID 89378
1,4-Dioxane-2-peroxol
CID 107326
2,4,7,9-Tetraoxadecane
CID 10953690

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-1,4-dioxane?
The IUPAC name of 2,5-dimethoxy-1,4-dioxane (CID 12500492) is 2,5-dimethoxy-1,4-dioxane.
What is the SMILES notation for 2,5-dimethoxy-1,4-dioxane?
The canonical SMILES for 2,5-dimethoxy-1,4-dioxane is COC1COC(OC)CO1.
What is the InChIKey of 2,5-dimethoxy-1,4-dioxane?
The InChIKey is DYRQUBUCDGTDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4/c1-7-5-3-10-6(8-2)4-9-5/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,5-dimethoxy-1,4-dioxane?
2,5-dimethoxy-1,4-dioxane has a molecular weight of 148.16 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-1,4-dioxane is sourced from PubChem (CID 12500492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).