5,7-diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

C12H18O2S — CID 18346349

IUPAC5,7-diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCCc1sc(CC)c2c1OC(C)C(C)O2
InChIInChI=1S/C12H18O2S/c1-5-9-11-12(10(6-2)15-9)14-8(4)7(3)13-11/h7-8H,5-6H2,1-4H3
InChIKeyUPWKFRPOCUBPGX-UHFFFAOYSA-N
MW226.34 g/mol
LogP3.42
Rot. Bonds2

About 5,7-diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine

5,7-diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 18346349) has the molecular formula C12H18O2S and a molecular weight of 226.34 g/mol. Its IUPAC name is 5,7-diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5,7-diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID18346349
Molecular FormulaC12H18O2S
Molecular Weight226.34 g/mol
Exact Mass226.10
IUPAC Name5,7-diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCCc1sc(CC)c2c1OC(C)C(C)O2
InChIInChI=1S/C12H18O2S/c1-5-9-11-12(10(6-2)15-9)14-8(4)7(3)13-11/h7-8H,5-6H2,1-4H3
InChIKeyUPWKFRPOCUBPGX-UHFFFAOYSA-N
XLogP3.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5,7-diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 18346349) is 5,7-diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5,7-diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5,7-diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is CCc1sc(CC)c2c1OC(C)C(C)O2.
What is the InChIKey of 5,7-diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is UPWKFRPOCUBPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2S/c1-5-9-11-12(10(6-2)15-9)14-8(4)7(3)13-11/h7-8H,5-6H2,1-4H3.
What are the key properties of 5,7-diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5,7-diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 226.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 18346349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).