dipropyl 3,4-diacetyloxythiophene-2,5-dicarboxylate

C16H20O8S — CID 12788782

IUPACdipropyl 3,4-diacetyloxythiophene-2,5-dicarboxylate
SMILESCCCOC(=O)c1sc(C(=O)OCCC)c(OC(C)=O)c1OC(C)=O
InChIInChI=1S/C16H20O8S/c1-5-7-21-15(19)13-11(23-9(3)17)12(24-10(4)18)14(25-13)16(20)22-8-6-2/h5-8H2,1-4H3
InChIKeyPPMCUDOMMGWWIT-UHFFFAOYSA-N
MW372.40 g/mol
LogP2.73
Rot. Bonds8

About dipropyl 3,4-diacetyloxythiophene-2,5-dicarboxylate

dipropyl 3,4-diacetyloxythiophene-2,5-dicarboxylate (PubChem CID 12788782) has the molecular formula C16H20O8S and a molecular weight of 372.40 g/mol. Its IUPAC name is dipropyl 3,4-diacetyloxythiophene-2,5-dicarboxylate.

Molecular Properties

Compound Namedipropyl 3,4-diacetyloxythiophene-2,5-dicarboxylate
PubChem CID12788782
Molecular FormulaC16H20O8S
Molecular Weight372.40 g/mol
Exact Mass372.09
IUPAC Namedipropyl 3,4-diacetyloxythiophene-2,5-dicarboxylate
SMILESCCCOC(=O)c1sc(C(=O)OCCC)c(OC(C)=O)c1OC(C)=O
InChIInChI=1S/C16H20O8S/c1-5-7-21-15(19)13-11(23-9(3)17)12(24-10(4)18)14(25-13)16(20)22-8-6-2/h5-8H2,1-4H3
InChIKeyPPMCUDOMMGWWIT-UHFFFAOYSA-N
XLogP2.73
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze dipropyl 3,4-diacetyloxythiophene-2,5-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

Protiofate
CID 68780
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
3,4-dihydroxythiophene-2,5-dicarboxylic acid diethyl ester disodium salt
CID 54671964
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
3,4-Dibutoxythiophene-2,5-dicarbaldehyde
CID 11119625
2,5-Thiophenedicarboxylic acid, 3,4-bis(decyloxy)-
CID 10576849

Frequently Asked Questions

What is the IUPAC name of dipropyl 3,4-diacetyloxythiophene-2,5-dicarboxylate?
The IUPAC name of dipropyl 3,4-diacetyloxythiophene-2,5-dicarboxylate (CID 12788782) is dipropyl 3,4-diacetyloxythiophene-2,5-dicarboxylate.
What is the SMILES notation for dipropyl 3,4-diacetyloxythiophene-2,5-dicarboxylate?
The canonical SMILES for dipropyl 3,4-diacetyloxythiophene-2,5-dicarboxylate is CCCOC(=O)c1sc(C(=O)OCCC)c(OC(C)=O)c1OC(C)=O.
What is the InChIKey of dipropyl 3,4-diacetyloxythiophene-2,5-dicarboxylate?
The InChIKey is PPMCUDOMMGWWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O8S/c1-5-7-21-15(19)13-11(23-9(3)17)12(24-10(4)18)14(25-13)16(20)22-8-6-2/h5-8H2,1-4H3.
What are the key properties of dipropyl 3,4-diacetyloxythiophene-2,5-dicarboxylate?
dipropyl 3,4-diacetyloxythiophene-2,5-dicarboxylate has a molecular weight of 372.40 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dipropyl 3,4-diacetyloxythiophene-2,5-dicarboxylate is sourced from PubChem (CID 12788782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).