3-methyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine

C7H12O4 — CID 164850224

IUPAC3-methyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine
SMILESCC1COC2OCCOC2O1
InChIInChI=1S/C7H12O4/c1-5-4-10-6-7(11-5)9-3-2-8-6/h5-7H,2-4H2,1H3
InChIKeyHKSACUYZTRGFRX-UHFFFAOYSA-N
MW160.17 g/mol
LogP0.12
Rot. Bonds

About 3-methyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine

3-methyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine (PubChem CID 164850224) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-methyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine.

Molecular Properties

Compound Name3-methyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine
PubChem CID164850224
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Name3-methyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine
SMILESCC1COC2OCCOC2O1
InChIInChI=1S/C7H12O4/c1-5-4-10-6-7(11-5)9-3-2-8-6/h5-7H,2-4H2,1H3
InChIKeyHKSACUYZTRGFRX-UHFFFAOYSA-N
XLogP0.12
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][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 3-methyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine?
The IUPAC name of 3-methyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine (CID 164850224) is 3-methyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine.
What is the SMILES notation for 3-methyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine?
The canonical SMILES for 3-methyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine is CC1COC2OCCOC2O1.
What is the InChIKey of 3-methyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine?
The InChIKey is HKSACUYZTRGFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-5-4-10-6-7(11-5)9-3-2-8-6/h5-7H,2-4H2,1H3.
What are the key properties of 3-methyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine?
3-methyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine has a molecular weight of 160.17 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine is sourced from PubChem (CID 164850224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).