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

C8H14O4 — CID 11137610

IUPAC4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine
SMILESCC12OCCOC1(C)OCCO2
InChIInChI=1S/C8H14O4/c1-7-8(2,11-5-3-9-7)12-6-4-10-7/h3-6H2,1-2H3
InChIKeyJKJJERKCXREXRK-UHFFFAOYSA-N
MW174.20 g/mol
LogP0.51
Rot. Bonds

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

4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine (PubChem CID 11137610) has the molecular formula C8H14O4 and a molecular weight of 174.20 g/mol. Its IUPAC name is 4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine.

Molecular Properties

Compound Name4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine
PubChem CID11137610
Molecular FormulaC8H14O4
Molecular Weight174.20 g/mol
Exact Mass174.09
IUPAC Name4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine
SMILESCC12OCCOC1(C)OCCO2
InChIInChI=1S/C8H14O4/c1-7-8(2,11-5-3-9-7)12-6-4-10-7/h3-6H2,1-2H3
InChIKeyJKJJERKCXREXRK-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

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Frequently Asked Questions

What is the IUPAC name of 4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine?
The IUPAC name of 4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine (CID 11137610) is 4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine.
What is the SMILES notation for 4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine?
The canonical SMILES for 4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine is CC12OCCOC1(C)OCCO2.
What is the InChIKey of 4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine?
The InChIKey is JKJJERKCXREXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O4/c1-7-8(2,11-5-3-9-7)12-6-4-10-7/h3-6H2,1-2H3.
What are the key properties of 4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine?
4a,8a-dimethyl-2,3,6,7-tetrahydro-[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 4a,8a-dimethyl-2,3,6,7-tetrahydro-[1,4]dioxino[2,3-b][1,4]dioxine is sourced from PubChem (CID 11137610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).