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

C7H10O2 — CID 126614499

IUPAC4,6-dimethyl-2-methylidene-4H-1,3-dioxine
SMILESC=C1OC(C)=CC(C)O1
InChIInChI=1S/C7H10O2/c1-5-4-6(2)9-7(3)8-5/h4-5H,3H2,1-2H3
InChIKeyABWJIRJTUUOZDK-UHFFFAOYSA-N
MW126.16 g/mol
LogP1.80
Rot. Bonds

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

4,6-dimethyl-2-methylidene-4H-1,3-dioxine (PubChem CID 126614499) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 4,6-dimethyl-2-methylidene-4H-1,3-dioxine.

Molecular Properties

Compound Name4,6-dimethyl-2-methylidene-4H-1,3-dioxine
PubChem CID126614499
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name4,6-dimethyl-2-methylidene-4H-1,3-dioxine
SMILESC=C1OC(C)=CC(C)O1
InChIInChI=1S/C7H10O2/c1-5-4-6(2)9-7(3)8-5/h4-5H,3H2,1-2H3
InChIKeyABWJIRJTUUOZDK-UHFFFAOYSA-N
XLogP1.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-methylidene-4H-1,3-dioxine?
The IUPAC name of 4,6-dimethyl-2-methylidene-4H-1,3-dioxine (CID 126614499) is 4,6-dimethyl-2-methylidene-4H-1,3-dioxine.
What is the SMILES notation for 4,6-dimethyl-2-methylidene-4H-1,3-dioxine?
The canonical SMILES for 4,6-dimethyl-2-methylidene-4H-1,3-dioxine is C=C1OC(C)=CC(C)O1.
What is the InChIKey of 4,6-dimethyl-2-methylidene-4H-1,3-dioxine?
The InChIKey is ABWJIRJTUUOZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-4-6(2)9-7(3)8-5/h4-5H,3H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-methylidene-4H-1,3-dioxine?
4,6-dimethyl-2-methylidene-4H-1,3-dioxine has a molecular weight of 126.16 g/mol, XLogP of 1.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-methylidene-4H-1,3-dioxine is sourced from PubChem (CID 126614499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).