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

C14H18O6S — CID 12025309

IUPACdiethyl 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate
SMILESCCOC(=O)c1sc(C(=O)OCC)c2c1OC(C)C(C)O2
InChIInChI=1S/C14H18O6S/c1-5-17-13(15)11-9-10(20-8(4)7(3)19-9)12(21-11)14(16)18-6-2/h7-8H,5-6H2,1-4H3
InChIKeyWREXCXBDKKMTRQ-UHFFFAOYSA-N
MW314.36 g/mol
LogP2.65
Rot. Bonds4

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

diethyl 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate (PubChem CID 12025309) has the molecular formula C14H18O6S and a molecular weight of 314.36 g/mol. Its IUPAC name is diethyl 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate.

Molecular Properties

Compound Namediethyl 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate
PubChem CID12025309
Molecular FormulaC14H18O6S
Molecular Weight314.36 g/mol
Exact Mass314.08
IUPAC Namediethyl 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate
SMILESCCOC(=O)c1sc(C(=O)OCC)c2c1OC(C)C(C)O2
InChIInChI=1S/C14H18O6S/c1-5-17-13(15)11-9-10(20-8(4)7(3)19-9)12(21-11)14(16)18-6-2/h7-8H,5-6H2,1-4H3
InChIKeyWREXCXBDKKMTRQ-UHFFFAOYSA-N
XLogP2.65
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze diethyl 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-amino-5-carbamoyl-4-methylthiophene-2-carboxylate
CID 602876
diethyl 2-chloro-1,3-thiazole-4,5-dicarboxylate
CID 15009545
diethyl 3-butanoyloxy-4-methylthiophene-2,5-dicarboxylate
CID 13321436
tetraethyl (1S,4R,7S,10R)-13,14-dioxapentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene-5,6,11,12-tetracarboxylate
CID 71658179
diethyl 4-methyl-5-(methylamino)thiophene-2,3-dicarboxylate
CID 101263964
3-tert-butyl-5-ethoxycarbonyl-4-[(2-methylpropan-2-yl)oxy]thiophene-2-carboxylic acid
CID 57178038
diethyl 5-chloro-3-methylthiophene-2,4-dicarboxylate
CID 155671928
ethyl 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 15642023
ethyl 2-(3-methyloxiran-2-ylidene)acetate
CID 141372783
diethyl 3,4-bis[(2,4,6-trimethylbenzoyl)oxy]thiophene-2,5-dicarboxylate
CID 4915846
ethyl 5-acetamido-4-bromo-3-methylthiophene-2-carboxylate
CID 153387772
ethyl 3-amino-2-methyl-5-oxo-2H-furan-4-carboxylate
CID 15721679

Frequently Asked Questions

What is the IUPAC name of diethyl 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate?
The IUPAC name of diethyl 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate (CID 12025309) is diethyl 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate.
What is the SMILES notation for diethyl 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate?
The canonical SMILES for diethyl 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate is CCOC(=O)c1sc(C(=O)OCC)c2c1OC(C)C(C)O2.
What is the InChIKey of diethyl 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate?
The InChIKey is WREXCXBDKKMTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O6S/c1-5-17-13(15)11-9-10(20-8(4)7(3)19-9)12(21-11)14(16)18-6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of diethyl 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate?
diethyl 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate has a molecular weight of 314.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2,3-dimethyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate is sourced from PubChem (CID 12025309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).