1,2,4,6-tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium

C8H16O2+2 — CID 123552627

IUPAC1,2,4,6-tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium
SMILESCC1=C[O+](C)CC(C)[O+]1C
InChIInChI=1S/C8H16O2/c1-7-5-9(3)6-8(2)10(7)4/h5,8H,6H2,1-4H3/q+2
InChIKeyYOFPPHCWRPMVAK-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.61
Rot. Bonds

About 1,2,4,6-tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium

1,2,4,6-tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium (PubChem CID 123552627) has the molecular formula C8H16O2+2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 1,2,4,6-tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium.

Molecular Properties

Compound Name1,2,4,6-tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium
PubChem CID123552627
Molecular FormulaC8H16O2+2
Molecular Weight144.21 g/mol
Exact Mass144.11
IUPAC Name1,2,4,6-tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium
SMILESCC1=C[O+](C)CC(C)[O+]1C
InChIInChI=1S/C8H16O2/c1-7-5-9(3)6-8(2)10(7)4/h5,8H,6H2,1-4H3/q+2
InChIKeyYOFPPHCWRPMVAK-UHFFFAOYSA-N
XLogP1.61
TPSA5.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze 1,2,4,6-tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Methyl-2,3-dihydro-1,4-dioxine
CID 304035
2,6-Dimethyl-2,3-dihydro-1,4-dioxine
CID 13441491
2,5-Dimethyl-2,3-dihydro-1,4-dioxine
CID 59297214
6-Methyl-2-(1-propenyloxymethyl)-2,3-dihydro-1,4-dioxine
CID 129742042
6-Methyl-2-[2-(vinyloxy)ethoxymethyl]-2,3-dihydro-1,4-dioxine
CID 129742258
2,2,3,3,5-Pentamethyl-1,4-dioxine
CID 12591607
2,3,5-Trimethyl-2,3-dihydro-1,4-dioxine
CID 12601559
2,3-Diethyl-5-methyl-2,3-dihydro-1,4-dioxine
CID 20589309
2-[2-(2-Ethoxyethoxy)ethoxy]prop-1-ene
CID 22491580
1,2-Bis(prop-1-enoxy)propane
CID 53967680
2-(2-Prop-1-en-2-yloxyethoxy)prop-1-ene
CID 54312854
1,2,3-Tris(prop-1-en-2-yloxy)propane
CID 59348391

Frequently Asked Questions

What is the IUPAC name of 1,2,4,6-tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium?
The IUPAC name of 1,2,4,6-tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium (CID 123552627) is 1,2,4,6-tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium.
What is the SMILES notation for 1,2,4,6-tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium?
The canonical SMILES for 1,2,4,6-tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium is CC1=C[O+](C)CC(C)[O+]1C.
What is the InChIKey of 1,2,4,6-tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium?
The InChIKey is YOFPPHCWRPMVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-7-5-9(3)6-8(2)10(7)4/h5,8H,6H2,1-4H3/q+2.
What are the key properties of 1,2,4,6-tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium?
1,2,4,6-tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium has a molecular weight of 144.21 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,6-tetramethyl-2,3-dihydro-1,4-dioxine-1,4-diium is sourced from PubChem (CID 123552627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).