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

C11H16O2S — CID 18346350

IUPAC5,7-diethyl-3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCCc1sc(CC)c2c1OCC(C)O2
InChIInChI=1S/C11H16O2S/c1-4-8-10-11(9(5-2)14-8)13-7(3)6-12-10/h7H,4-6H2,1-3H3
InChIKeyXACCTASQVDWIIR-UHFFFAOYSA-N
MW212.31 g/mol
LogP3.03
Rot. Bonds2

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

5,7-diethyl-3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 18346350) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 5,7-diethyl-3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5,7-diethyl-3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID18346350
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name5,7-diethyl-3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESCCc1sc(CC)c2c1OCC(C)O2
InChIInChI=1S/C11H16O2S/c1-4-8-10-11(9(5-2)14-8)13-7(3)6-12-10/h7H,4-6H2,1-3H3
InChIKeyXACCTASQVDWIIR-UHFFFAOYSA-N
XLogP3.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Thieno[3,4-b]-1,4-dioxin, 5-hexyl-2,3-dihydro-
CID 11020600
5,7-Dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 18716605
5-Methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 23553881
(3,4-Dibutoxy-5-methylthiophen-2-yl)-trimethylsilane
CID 59664288
k01Prr15 1a
CID 101549569
5-Ethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 68087843
5,7-Dimethyl-3-(trifluoromethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine
CID 145344236
2,5-Dimethyl-3,4-bis(3,3,3-trifluoropropoxy)thiophene
CID 145344251
Diethyl 3,3-bis(ethoxymethyl)-3,4-dihydro-2h-thieno[3,4-b][1,4]dioxepine
CID 134814573
Tributyl-(7-dodecyl-2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane
CID 135078401
2,5-Di(propan-2-yl)-3-propoxy-4-(3,3,3-trifluoropropoxy)thiophene
CID 159797613
2-Tri-n-butylstannyl-5-n-hexyl-3,4-ethylenedioxythiophene
CID 11071330

Frequently Asked Questions

What is the IUPAC name of 5,7-diethyl-3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5,7-diethyl-3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 18346350) is 5,7-diethyl-3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5,7-diethyl-3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5,7-diethyl-3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is CCc1sc(CC)c2c1OCC(C)O2.
What is the InChIKey of 5,7-diethyl-3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is XACCTASQVDWIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-4-8-10-11(9(5-2)14-8)13-7(3)6-12-10/h7H,4-6H2,1-3H3.
What are the key properties of 5,7-diethyl-3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5,7-diethyl-3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 212.31 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-diethyl-3-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 18346350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).