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

C8H14O4 — CID 544816

IUPAC2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine
SMILESCC1OC2OCCOC2OC1C
InChIInChI=1S/C8H14O4/c1-5-6(2)12-8-7(11-5)9-3-4-10-8/h5-8H,3-4H2,1-2H3
InChIKeyVTTKTFADWIOZIE-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.51
Rot. Bonds

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

2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine (PubChem CID 544816) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine.

Molecular Properties

Compound Name2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine
PubChem CID544816
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine
SMILESCC1OC2OCCOC2OC1C
InChIInChI=1S/C8H14O4/c1-5-6(2)12-8-7(11-5)9-3-4-10-8/h5-8H,3-4H2,1-2H3
InChIKeyVTTKTFADWIOZIE-UHFFFAOYSA-N
XLogP0.51
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine?
The IUPAC name of 2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine (CID 544816) is 2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine.
What is the SMILES notation for 2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine?
The canonical SMILES for 2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine is CC1OC2OCCOC2OC1C.
What is the InChIKey of 2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine?
The InChIKey is VTTKTFADWIOZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-5-6(2)12-8-7(11-5)9-3-4-10-8/h5-8H,3-4H2,1-2H3.
What are the key properties of 2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine?
2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine has a molecular weight of 174.20 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2,3,4a,6,7,8a-hexahydro-[1,4]dioxino[2,3-b][1,4]dioxine is sourced from PubChem (CID 544816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).