5-[(E)-2-[5-[5-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

C24H18O4S4 — CID 15488039

IUPAC5-[(E)-2-[5-[5-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC(=C/c1scc2c1OCCO2)\c1ccc(-c2ccc(/C=C/c3scc4c3OCCO4)s2)s1
InChIInChI=1S/C24H18O4S4/c1-5-19(31-15(1)3-7-21-23-17(13-29-21)25-9-11-27-23)20-6-2-16(32-20)4-8-22-24-18(14-30-22)26-10-12-28-24/h1-8,13-14H,9-12H2/b7-3+,8-4+
InChIKeyFMCNBGSBHGSRIV-FCXRPNKRSA-N
MW498.67 g/mol
LogP7.48
Rot. Bonds5

About 5-[(E)-2-[5-[5-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

5-[(E)-2-[5-[5-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 15488039) has the molecular formula C24H18O4S4 and a molecular weight of 498.67 g/mol. Its IUPAC name is 5-[(E)-2-[5-[5-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-[(E)-2-[5-[5-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID15488039
Molecular FormulaC24H18O4S4
Molecular Weight498.67 g/mol
Exact Mass498.01
IUPAC Name5-[(E)-2-[5-[5-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC(=C/c1scc2c1OCCO2)\c1ccc(-c2ccc(/C=C/c3scc4c3OCCO4)s2)s1
InChIInChI=1S/C24H18O4S4/c1-5-19(31-15(1)3-7-21-23-17(13-29-21)25-9-11-27-23)20-6-2-16(32-20)4-8-22-24-18(14-30-22)26-10-12-28-24/h1-8,13-14H,9-12H2/b7-3+,8-4+
InChIKeyFMCNBGSBHGSRIV-FCXRPNKRSA-N
XLogP7.48
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(E)-2-[5-[5-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[5-[5-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-[(E)-2-[5-[5-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 15488039) is 5-[(E)-2-[5-[5-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-[(E)-2-[5-[5-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-[(E)-2-[5-[5-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is C(=C/c1scc2c1OCCO2)\c1ccc(-c2ccc(/C=C/c3scc4c3OCCO4)s2)s1.
What is the InChIKey of 5-[(E)-2-[5-[5-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is FMCNBGSBHGSRIV-FCXRPNKRSA-N. The full InChI is InChI=1S/C24H18O4S4/c1-5-19(31-15(1)3-7-21-23-17(13-29-21)25-9-11-27-23)20-6-2-16(32-20)4-8-22-24-18(14-30-22)26-10-12-28-24/h1-8,13-14H,9-12H2/b7-3+,8-4+.
What are the key properties of 5-[(E)-2-[5-[5-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-[(E)-2-[5-[5-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 498.67 g/mol, XLogP of 7.48, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[5-[5-[(E)-2-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)ethenyl]thiophen-2-yl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 15488039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).