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

C10H10O6S — CID 22721293

IUPAC2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid
SMILESCC1Oc2c(C(=O)O)sc(C(=O)O)c2OC1C
InChIInChI=1S/C10H10O6S/c1-3-4(2)16-6-5(15-3)7(9(11)12)17-8(6)10(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChIKeyYHDBYEUOGXRNDJ-UHFFFAOYSA-N
MW258.25 g/mol
LogP1.69
Rot. Bonds2

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

2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid (PubChem CID 22721293) has the molecular formula C10H10O6S and a molecular weight of 258.25 g/mol. Its IUPAC name is 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid.

Molecular Properties

Compound Name2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid
PubChem CID22721293
Molecular FormulaC10H10O6S
Molecular Weight258.25 g/mol
Exact Mass258.02
IUPAC Name2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid
SMILESCC1Oc2c(C(=O)O)sc(C(=O)O)c2OC1C
InChIInChI=1S/C10H10O6S/c1-3-4(2)16-6-5(15-3)7(9(11)12)17-8(6)10(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14)
InChIKeyYHDBYEUOGXRNDJ-UHFFFAOYSA-N
XLogP1.69
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Protiofate
CID 68780
3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester
CID 245503
2,3-Dihydrothieno(3,4-b)(1,4)dioxine-5-carboxylic acid
CID 6483880
2,3-Dihydro-thieno(3,4-b)(1,4)dioxin-5,7-dicarboxylic acid
CID 728841
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
Dimethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate
CID 614946
Diethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate
CID 625399
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
2,5-Thiophenedicarboxylic acid, 3,4-bis(decyloxy)-
CID 10576849

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid?
The IUPAC name of 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid (CID 22721293) is 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid.
What is the SMILES notation for 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid?
The canonical SMILES for 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid is CC1Oc2c(C(=O)O)sc(C(=O)O)c2OC1C.
What is the InChIKey of 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid?
The InChIKey is YHDBYEUOGXRNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O6S/c1-3-4(2)16-6-5(15-3)7(9(11)12)17-8(6)10(13)14/h3-4H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid?
2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid has a molecular weight of 258.25 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylic acid is sourced from PubChem (CID 22721293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).