3-methoxy-3,6-dimethyl-2H-1,4-dioxine

C7H12O3 — CID 134986059

IUPAC3-methoxy-3,6-dimethyl-2H-1,4-dioxine
SMILESCOC1(C)COC(C)=CO1
InChIInChI=1S/C7H12O3/c1-6-4-10-7(2,8-3)5-9-6/h4H,5H2,1-3H3
InChIKeyIRBQNKAJEGSTRM-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.26
Rot. Bonds1

About 3-methoxy-3,6-dimethyl-2H-1,4-dioxine

3-methoxy-3,6-dimethyl-2H-1,4-dioxine (PubChem CID 134986059) has the molecular formula C7H12O3 and a molecular weight of 144.17 g/mol. Its IUPAC name is 3-methoxy-3,6-dimethyl-2H-1,4-dioxine.

Molecular Properties

Compound Name3-methoxy-3,6-dimethyl-2H-1,4-dioxine
PubChem CID134986059
Molecular FormulaC7H12O3
Molecular Weight144.17 g/mol
Exact Mass144.08
IUPAC Name3-methoxy-3,6-dimethyl-2H-1,4-dioxine
SMILESCOC1(C)COC(C)=CO1
InChIInChI=1S/C7H12O3/c1-6-4-10-7(2,8-3)5-9-6/h4H,5H2,1-3H3
InChIKeyIRBQNKAJEGSTRM-UHFFFAOYSA-N
XLogP1.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3,6-dimethyl-2H-1,4-dioxine?
The IUPAC name of 3-methoxy-3,6-dimethyl-2H-1,4-dioxine (CID 134986059) is 3-methoxy-3,6-dimethyl-2H-1,4-dioxine.
What is the SMILES notation for 3-methoxy-3,6-dimethyl-2H-1,4-dioxine?
The canonical SMILES for 3-methoxy-3,6-dimethyl-2H-1,4-dioxine is COC1(C)COC(C)=CO1.
What is the InChIKey of 3-methoxy-3,6-dimethyl-2H-1,4-dioxine?
The InChIKey is IRBQNKAJEGSTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O3/c1-6-4-10-7(2,8-3)5-9-6/h4H,5H2,1-3H3.
What are the key properties of 3-methoxy-3,6-dimethyl-2H-1,4-dioxine?
3-methoxy-3,6-dimethyl-2H-1,4-dioxine has a molecular weight of 144.17 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3,6-dimethyl-2H-1,4-dioxine is sourced from PubChem (CID 134986059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).