2,4-dimethyl-1,3-dioxane

C6H12O2 — CID 13009

IUPAC2,4-dimethyl-1,3-dioxane
SMILESCC1CCOC(C)O1
InChIInChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3
InChIKeyVREPYGYMOSZTKJ-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.16
Rot. Bonds

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

2,4-dimethyl-1,3-dioxane (PubChem CID 13009) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name2,4-dimethyl-1,3-dioxane
PubChem CID13009
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2,4-dimethyl-1,3-dioxane
SMILESCC1CCOC(C)O1
InChIInChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3
InChIKeyVREPYGYMOSZTKJ-UHFFFAOYSA-N
XLogP1.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-1,3-dioxane
CID 14269
1,1,3-Triethoxybutane
CID 22163
2,2-Dimethyl-1,3-dioxane
CID 39902
2-Ethyl-1,3-dioxane
CID 4205687
2,2,4-Trimethyl-1,3-dioxane
CID 136525
2-Methyl-1,3-dioxane
CID 136444
2,6-Dimethyl-1,3-dioxane-4-ol
CID 107329
2-Ethyl-2,4-dimethyl-1,3-dioxane
CID 252936
1,3-Dioxane, 4-methyl-2-propyl-
CID 95403
2-Ethyl-2-methyl-1,3-dioxane
CID 11789239
4,6-Dimethyl-1,3-dioxane
CID 136893
4-Methyl-2-isopropyl-1,3-dioxane
CID 303695

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3-dioxane?
The IUPAC name of 2,4-dimethyl-1,3-dioxane (CID 13009) is 2,4-dimethyl-1,3-dioxane.
What is the SMILES notation for 2,4-dimethyl-1,3-dioxane?
The canonical SMILES for 2,4-dimethyl-1,3-dioxane is CC1CCOC(C)O1.
What is the InChIKey of 2,4-dimethyl-1,3-dioxane?
The InChIKey is VREPYGYMOSZTKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-5-3-4-7-6(2)8-5/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,4-dimethyl-1,3-dioxane?
2,4-dimethyl-1,3-dioxane has a molecular weight of 116.16 g/mol, XLogP of 1.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1,3-dioxane is sourced from PubChem (CID 13009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).