2,2,6-trimethyl-3-methylidene-1,4-dioxine

C8H12O2 — CID 134932021

IUPAC2,2,6-trimethyl-3-methylidene-1,4-dioxine
SMILESC=C1OC=C(C)OC1(C)C
InChIInChI=1S/C8H12O2/c1-6-5-9-7(2)8(3,4)10-6/h5H,2H2,1,3-4H3
InChIKeyBZWNSVORAICEEM-UHFFFAOYSA-N
MW140.18 g/mol
LogP2.19
Rot. Bonds

About 2,2,6-trimethyl-3-methylidene-1,4-dioxine

2,2,6-trimethyl-3-methylidene-1,4-dioxine (PubChem CID 134932021) has the molecular formula C8H12O2 and a molecular weight of 140.18 g/mol. Its IUPAC name is 2,2,6-trimethyl-3-methylidene-1,4-dioxine.

Molecular Properties

Compound Name2,2,6-trimethyl-3-methylidene-1,4-dioxine
PubChem CID134932021
Molecular FormulaC8H12O2
Molecular Weight140.18 g/mol
Exact Mass140.08
IUPAC Name2,2,6-trimethyl-3-methylidene-1,4-dioxine
SMILESC=C1OC=C(C)OC1(C)C
InChIInChI=1S/C8H12O2/c1-6-5-9-7(2)8(3,4)10-6/h5H,2H2,1,3-4H3
InChIKeyBZWNSVORAICEEM-UHFFFAOYSA-N
XLogP2.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.18
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,6-trimethyl-3-methylidene-1,4-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 2,2,6-trimethyl-3-methylidene-1,4-dioxine?
The IUPAC name of 2,2,6-trimethyl-3-methylidene-1,4-dioxine (CID 134932021) is 2,2,6-trimethyl-3-methylidene-1,4-dioxine.
What is the SMILES notation for 2,2,6-trimethyl-3-methylidene-1,4-dioxine?
The canonical SMILES for 2,2,6-trimethyl-3-methylidene-1,4-dioxine is C=C1OC=C(C)OC1(C)C.
What is the InChIKey of 2,2,6-trimethyl-3-methylidene-1,4-dioxine?
The InChIKey is BZWNSVORAICEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2/c1-6-5-9-7(2)8(3,4)10-6/h5H,2H2,1,3-4H3.
What are the key properties of 2,2,6-trimethyl-3-methylidene-1,4-dioxine?
2,2,6-trimethyl-3-methylidene-1,4-dioxine has a molecular weight of 140.18 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-3-methylidene-1,4-dioxine is sourced from PubChem (CID 134932021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).