5,7-dimethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine

C8H14O2S — CID 18737117

IUPAC5,7-dimethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine
SMILESCC1SC(C)C2OCCOC12
InChIInChI=1S/C8H14O2S/c1-5-7-8(6(2)11-5)10-4-3-9-7/h5-8H,3-4H2,1-2H3
InChIKeyYMQGVZKGGMLYNA-UHFFFAOYSA-N
MW174.26 g/mol
LogP1.29
Rot. Bonds

About 5,7-dimethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine

5,7-dimethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine (PubChem CID 18737117) has the molecular formula C8H14O2S and a molecular weight of 174.26 g/mol. Its IUPAC name is 5,7-dimethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5,7-dimethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine
PubChem CID18737117
Molecular FormulaC8H14O2S
Molecular Weight174.26 g/mol
Exact Mass174.07
IUPAC Name5,7-dimethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine
SMILESCC1SC(C)C2OCCOC12
InChIInChI=1S/C8H14O2S/c1-5-7-8(6(2)11-5)10-4-3-9-7/h5-8H,3-4H2,1-2H3
InChIKeyYMQGVZKGGMLYNA-UHFFFAOYSA-N
XLogP1.29
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5,7-dimethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine (CID 18737117) is 5,7-dimethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5,7-dimethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5,7-dimethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine is CC1SC(C)C2OCCOC12.
What is the InChIKey of 5,7-dimethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine?
The InChIKey is YMQGVZKGGMLYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S/c1-5-7-8(6(2)11-5)10-4-3-9-7/h5-8H,3-4H2,1-2H3.
What are the key properties of 5,7-dimethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine?
5,7-dimethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine has a molecular weight of 174.26 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 18737117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).