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

C10H10O6S — CID 614946

IUPACdimethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate
SMILESCOC(=O)c1sc(C(=O)OC)c2c1OCCO2
InChIInChI=1S/C10H10O6S/c1-13-9(11)7-5-6(16-4-3-15-5)8(17-7)10(12)14-2/h3-4H2,1-2H3
InChIKeyFBOWXGQNFRTEQH-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.09
Rot. Bonds2

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

dimethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate (PubChem CID 614946) has the molecular formula C10H10O6S and a molecular weight of 258.25 g/mol. Its IUPAC name is dimethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate
PubChem CID614946
Molecular FormulaC10H10O6S
Molecular Weight258.25 g/mol
Exact Mass258.02
IUPAC Namedimethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate
SMILESCOC(=O)c1sc(C(=O)OC)c2c1OCCO2
InChIInChI=1S/C10H10O6S/c1-13-9(11)7-5-6(16-4-3-15-5)8(17-7)10(12)14-2/h3-4H2,1-2H3
InChIKeyFBOWXGQNFRTEQH-UHFFFAOYSA-N
XLogP1.09
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2,3-Dihydro-thieno(3,4-b)(1,4)dioxin-5,7-dicarboxylic acid
CID 728841
2,3-Dihydrothieno(3,4-b)(1,4)dioxine-5-carboxylic acid
CID 6483880
Diethyl 3,4-bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylate
CID 3244390
3,4-Propylenedioxythiophene-2,5-dicarboxylic acid
CID 10800308
3,4-Dimethoxythiophene-2,5-dicarboxylic acid
CID 2801538
Diethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate
CID 625399
3,4-dihydroxythiophene-2,5-dicarboxylic acid diethyl ester disodium salt
CID 54671964
2,3-Dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarbaldehyde
CID 3430937
Ethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylate
CID 598102
Methyl 2,3-dihydrothieno(3,4-b)-1,4-dioxin-5-carboxylate
CID 778201
Ethyl 5,6,7,8-tetrafluorothieno[3,4-b][1,4]benzodioxine-3-carboxylate
CID 168339884
3,4-Dibutoxythiophene-2,5-dicarbaldehyde
CID 11119625

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate?
The IUPAC name of dimethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate (CID 614946) is dimethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate.
What is the SMILES notation for dimethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate?
The canonical SMILES for dimethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate is COC(=O)c1sc(C(=O)OC)c2c1OCCO2.
What is the InChIKey of dimethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate?
The InChIKey is FBOWXGQNFRTEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6S/c1-13-9(11)7-5-6(16-4-3-15-5)8(17-7)10(12)14-2/h3-4H2,1-2H3.
What are the key properties of dimethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate?
dimethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate has a molecular weight of 258.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate is sourced from PubChem (CID 614946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).