4,6-dimethyl-4H-1,3-dioxine

C6H10O2 — CID 21339834

IUPAC4,6-dimethyl-4H-1,3-dioxine
SMILESCC1=CC(C)OCO1
InChIInChI=1S/C6H10O2/c1-5-3-6(2)8-4-7-5/h3,5H,4H2,1-2H3
InChIKeyZHBDPUAGGLFYFS-UHFFFAOYSA-N
MW114.14 g/mol
LogP1.28
Rot. Bonds

About 4,6-dimethyl-4H-1,3-dioxine

4,6-dimethyl-4H-1,3-dioxine (PubChem CID 21339834) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is 4,6-dimethyl-4H-1,3-dioxine.

Molecular Properties

Compound Name4,6-dimethyl-4H-1,3-dioxine
PubChem CID21339834
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name4,6-dimethyl-4H-1,3-dioxine
SMILESCC1=CC(C)OCO1
InChIInChI=1S/C6H10O2/c1-5-3-6(2)8-4-7-5/h3,5H,4H2,1-2H3
InChIKeyZHBDPUAGGLFYFS-UHFFFAOYSA-N
XLogP1.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-dimethyl-4H-1,3-dioxine 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 4,6-dimethyl-4H-1,3-dioxine?
The IUPAC name of 4,6-dimethyl-4H-1,3-dioxine (CID 21339834) is 4,6-dimethyl-4H-1,3-dioxine.
What is the SMILES notation for 4,6-dimethyl-4H-1,3-dioxine?
The canonical SMILES for 4,6-dimethyl-4H-1,3-dioxine is CC1=CC(C)OCO1.
What is the InChIKey of 4,6-dimethyl-4H-1,3-dioxine?
The InChIKey is ZHBDPUAGGLFYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-5-3-6(2)8-4-7-5/h3,5H,4H2,1-2H3.
What are the key properties of 4,6-dimethyl-4H-1,3-dioxine?
4,6-dimethyl-4H-1,3-dioxine has a molecular weight of 114.14 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-4H-1,3-dioxine is sourced from PubChem (CID 21339834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).