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

C17H16O2S — CID 58862939

IUPAC5-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC/C=C/c1ccc(/C=C/c2scc3c2OCCO3)cc1
InChIInChI=1S/C17H16O2S/c1-2-3-13-4-6-14(7-5-13)8-9-16-17-15(12-20-16)18-10-11-19-17/h2-9,12H,10-11H2,1H3/b3-2+,9-8+
InChIKeyNPAQNNXSXMIDIF-VHYPUYLQSA-N
MW284.38 g/mol
LogP4.72
Rot. Bonds3

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

5-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (PubChem CID 58862939) has the molecular formula C17H16O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is 5-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.

Molecular Properties

Compound Name5-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
PubChem CID58862939
Molecular FormulaC17H16O2S
Molecular Weight284.38 g/mol
Exact Mass284.09
IUPAC Name5-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine
SMILESC/C=C/c1ccc(/C=C/c2scc3c2OCCO3)cc1
InChIInChI=1S/C17H16O2S/c1-2-3-13-4-6-14(7-5-13)8-9-16-17-15(12-20-16)18-10-11-19-17/h2-9,12H,10-11H2,1H3/b3-2+,9-8+
InChIKeyNPAQNNXSXMIDIF-VHYPUYLQSA-N
XLogP4.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The IUPAC name of 5-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine (CID 58862939) is 5-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine.
What is the SMILES notation for 5-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The canonical SMILES for 5-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is C/C=C/c1ccc(/C=C/c2scc3c2OCCO3)cc1.
What is the InChIKey of 5-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
The InChIKey is NPAQNNXSXMIDIF-VHYPUYLQSA-N. The full InChI is InChI=1S/C17H16O2S/c1-2-3-13-4-6-14(7-5-13)8-9-16-17-15(12-20-16)18-10-11-19-17/h2-9,12H,10-11H2,1H3/b3-2+,9-8+.
What are the key properties of 5-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine?
5-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine has a molecular weight of 284.38 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-[4-[(E)-prop-1-enyl]phenyl]ethenyl]-2,3-dihydrothieno[3,4-b][1,4]dioxine is sourced from PubChem (CID 58862939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).