5-[(E)-2-(furan-3-yl)ethenyl]-2,2-dimethylfuran-3-one

C12H12O3 — CID 15086698

IUPAC5-[(E)-2-(furan-3-yl)ethenyl]-2,2-dimethylfuran-3-one
SMILESCC1(C)OC(/C=C/c2ccoc2)=CC1=O
InChIInChI=1S/C12H12O3/c1-12(2)11(13)7-10(15-12)4-3-9-5-6-14-8-9/h3-8H,1-2H3/b4-3+
InChIKeyFMEWJJIZOKPFIF-ONEGZZNKSA-N
MW204.22 g/mol
LogP2.55
Rot. Bonds2

About 5-[(E)-2-(furan-3-yl)ethenyl]-2,2-dimethylfuran-3-one

5-[(E)-2-(furan-3-yl)ethenyl]-2,2-dimethylfuran-3-one (PubChem CID 15086698) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 5-[(E)-2-(furan-3-yl)ethenyl]-2,2-dimethylfuran-3-one.

Molecular Properties

Compound Name5-[(E)-2-(furan-3-yl)ethenyl]-2,2-dimethylfuran-3-one
PubChem CID15086698
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name5-[(E)-2-(furan-3-yl)ethenyl]-2,2-dimethylfuran-3-one
SMILESCC1(C)OC(/C=C/c2ccoc2)=CC1=O
InChIInChI=1S/C12H12O3/c1-12(2)11(13)7-10(15-12)4-3-9-5-6-14-8-9/h3-8H,1-2H3/b4-3+
InChIKeyFMEWJJIZOKPFIF-ONEGZZNKSA-N
XLogP2.55
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(furan-3-yl)ethenyl]-2,2-dimethylfuran-3-one?
The IUPAC name of 5-[(E)-2-(furan-3-yl)ethenyl]-2,2-dimethylfuran-3-one (CID 15086698) is 5-[(E)-2-(furan-3-yl)ethenyl]-2,2-dimethylfuran-3-one.
What is the SMILES notation for 5-[(E)-2-(furan-3-yl)ethenyl]-2,2-dimethylfuran-3-one?
The canonical SMILES for 5-[(E)-2-(furan-3-yl)ethenyl]-2,2-dimethylfuran-3-one is CC1(C)OC(/C=C/c2ccoc2)=CC1=O.
What is the InChIKey of 5-[(E)-2-(furan-3-yl)ethenyl]-2,2-dimethylfuran-3-one?
The InChIKey is FMEWJJIZOKPFIF-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H12O3/c1-12(2)11(13)7-10(15-12)4-3-9-5-6-14-8-9/h3-8H,1-2H3/b4-3+.
What are the key properties of 5-[(E)-2-(furan-3-yl)ethenyl]-2,2-dimethylfuran-3-one?
5-[(E)-2-(furan-3-yl)ethenyl]-2,2-dimethylfuran-3-one has a molecular weight of 204.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(furan-3-yl)ethenyl]-2,2-dimethylfuran-3-one is sourced from PubChem (CID 15086698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).