2,5-dimethyl-1,4-dioxine

C6H8O2 — CID 24972953

IUPAC2,5-dimethyl-1,4-dioxine
SMILESCC1=COC(C)=CO1
InChIInChI=1S/C6H8O2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3
InChIKeyFBBFGECALPOTQR-UHFFFAOYSA-N
MW112.13 g/mol
LogP1.76
Rot. Bonds

About 2,5-dimethyl-1,4-dioxine

2,5-dimethyl-1,4-dioxine (PubChem CID 24972953) has the molecular formula C6H8O2 and a molecular weight of 112.13 g/mol. Its IUPAC name is 2,5-dimethyl-1,4-dioxine.

Molecular Properties

Compound Name2,5-dimethyl-1,4-dioxine
PubChem CID24972953
Molecular FormulaC6H8O2
Molecular Weight112.13 g/mol
Exact Mass112.05
IUPAC Name2,5-dimethyl-1,4-dioxine
SMILESCC1=COC(C)=CO1
InChIInChI=1S/C6H8O2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3
InChIKeyFBBFGECALPOTQR-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,4-dioxine?
The IUPAC name of 2,5-dimethyl-1,4-dioxine (CID 24972953) is 2,5-dimethyl-1,4-dioxine.
What is the SMILES notation for 2,5-dimethyl-1,4-dioxine?
The canonical SMILES for 2,5-dimethyl-1,4-dioxine is CC1=COC(C)=CO1.
What is the InChIKey of 2,5-dimethyl-1,4-dioxine?
The InChIKey is FBBFGECALPOTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2/c1-5-3-8-6(2)4-7-5/h3-4H,1-2H3.
What are the key properties of 2,5-dimethyl-1,4-dioxine?
2,5-dimethyl-1,4-dioxine has a molecular weight of 112.13 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,4-dioxine is sourced from PubChem (CID 24972953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).