5,7-bis[(E)-2-thiophen-2-ylethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

C18H14O2S3 — CID 15417848

IUPAC5,7-bis[(E)-2-thiophen-2-ylethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC(=C/c1sc(/C=C/c2cccs2)c2c1OCCO2)\c1cccs1
InChIInChI=1S/C18H14O2S3/c1-3-13(21-11-1)5-7-15-17-18(20-10-9-19-17)16(23-15)8-6-14-4-2-12-22-14/h1-8,11-12H,9-10H2/b7-5+,8-6+
InChIKeyILICBPDIIQIUEL-KQQUZDAGSA-N
MW358.51 g/mol
LogP5.98
Rot. Bonds4

About 5,7-bis[(E)-2-thiophen-2-ylethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine

5,7-bis[(E)-2-thiophen-2-ylethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 15417848) has the molecular formula C18H14O2S3 and a molecular weight of 358.51 g/mol. Its IUPAC name is 5,7-bis[(E)-2-thiophen-2-ylethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5,7-bis[(E)-2-thiophen-2-ylethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID15417848
Molecular FormulaC18H14O2S3
Molecular Weight358.51 g/mol
Exact Mass358.02
IUPAC Name5,7-bis[(E)-2-thiophen-2-ylethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC(=C/c1sc(/C=C/c2cccs2)c2c1OCCO2)\c1cccs1
InChIInChI=1S/C18H14O2S3/c1-3-13(21-11-1)5-7-15-17-18(20-10-9-19-17)16(23-15)8-6-14-4-2-12-22-14/h1-8,11-12H,9-10H2/b7-5+,8-6+
InChIKeyILICBPDIIQIUEL-KQQUZDAGSA-N
XLogP5.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-bis[(E)-2-thiophen-2-ylethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5,7-bis[(E)-2-thiophen-2-ylethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 15417848) is 5,7-bis[(E)-2-thiophen-2-ylethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5,7-bis[(E)-2-thiophen-2-ylethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5,7-bis[(E)-2-thiophen-2-ylethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is C(=C/c1sc(/C=C/c2cccs2)c2c1OCCO2)\c1cccs1.
What is the InChIKey of 5,7-bis[(E)-2-thiophen-2-ylethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is ILICBPDIIQIUEL-KQQUZDAGSA-N. The full InChI is InChI=1S/C18H14O2S3/c1-3-13(21-11-1)5-7-15-17-18(20-10-9-19-17)16(23-15)8-6-14-4-2-12-22-14/h1-8,11-12H,9-10H2/b7-5+,8-6+.
What are the key properties of 5,7-bis[(E)-2-thiophen-2-ylethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5,7-bis[(E)-2-thiophen-2-ylethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 358.51 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-bis[(E)-2-thiophen-2-ylethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 15417848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).