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

C15H14O2S2 — CID 58862937

IUPAC5-[(E)-2-[5-[(E)-prop-1-enyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC/C=C/c1ccc(/C=C/c2scc3c2OCCO3)s1
InChIInChI=1S/C15H14O2S2/c1-2-3-11-4-5-12(19-11)6-7-14-15-13(10-18-14)16-8-9-17-15/h2-7,10H,8-9H2,1H3/b3-2+,7-6+
InChIKeyRYDCEDZNNAHUAC-BLWKUPHCSA-N
MW290.41 g/mol
LogP4.78
Rot. Bonds3

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

5-[(E)-2-[5-[(E)-prop-1-enyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 58862937) has the molecular formula C15H14O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 5-[(E)-2-[5-[(E)-prop-1-enyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-[(E)-2-[5-[(E)-prop-1-enyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID58862937
Molecular FormulaC15H14O2S2
Molecular Weight290.41 g/mol
Exact Mass290.04
IUPAC Name5-[(E)-2-[5-[(E)-prop-1-enyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC/C=C/c1ccc(/C=C/c2scc3c2OCCO3)s1
InChIInChI=1S/C15H14O2S2/c1-2-3-11-4-5-12(19-11)6-7-14-15-13(10-18-14)16-8-9-17-15/h2-7,10H,8-9H2,1H3/b3-2+,7-6+
InChIKeyRYDCEDZNNAHUAC-BLWKUPHCSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[5-[(E)-prop-1-enyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-[(E)-2-[5-[(E)-prop-1-enyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 58862937) is 5-[(E)-2-[5-[(E)-prop-1-enyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-[(E)-2-[5-[(E)-prop-1-enyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-[(E)-2-[5-[(E)-prop-1-enyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is C/C=C/c1ccc(/C=C/c2scc3c2OCCO3)s1.
What is the InChIKey of 5-[(E)-2-[5-[(E)-prop-1-enyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is RYDCEDZNNAHUAC-BLWKUPHCSA-N. The full InChI is InChI=1S/C15H14O2S2/c1-2-3-11-4-5-12(19-11)6-7-14-15-13(10-18-14)16-8-9-17-15/h2-7,10H,8-9H2,1H3/b3-2+,7-6+.
What are the key properties of 5-[(E)-2-[5-[(E)-prop-1-enyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-[(E)-2-[5-[(E)-prop-1-enyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 290.41 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[5-[(E)-prop-1-enyl]thiophen-2-yl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 58862937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).