(3Z)-3-[(E)-2-ethylpent-2-enylidene]-1H-furo[3,4-c]furan-4,6-dione

C13H14O4 — CID 163888047

IUPAC(3Z)-3-[(E)-2-ethylpent-2-enylidene]-1H-furo[3,4-c]furan-4,6-dione
SMILESCC/C=C(/C=C1\OCC2=C1C(=O)OC2=O)CC
InChIInChI=1S/C13H14O4/c1-3-5-8(4-2)6-10-11-9(7-16-10)12(14)17-13(11)15/h5-6H,3-4,7H2,1-2H3/b8-5+,10-6-
InChIKeyPZCWRMQIPYOMAB-QYEKGNEQSA-N
MW234.25 g/mol
LogP2.03
Rot. Bonds3

About (3Z)-3-[(E)-2-ethylpent-2-enylidene]-1H-furo[3,4-c]furan-4,6-dione

(3Z)-3-[(E)-2-ethylpent-2-enylidene]-1H-furo[3,4-c]furan-4,6-dione (PubChem CID 163888047) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is (3Z)-3-[(E)-2-ethylpent-2-enylidene]-1H-furo[3,4-c]furan-4,6-dione.

Molecular Properties

Compound Name(3Z)-3-[(E)-2-ethylpent-2-enylidene]-1H-furo[3,4-c]furan-4,6-dione
PubChem CID163888047
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name(3Z)-3-[(E)-2-ethylpent-2-enylidene]-1H-furo[3,4-c]furan-4,6-dione
SMILESCC/C=C(/C=C1\OCC2=C1C(=O)OC2=O)CC
InChIInChI=1S/C13H14O4/c1-3-5-8(4-2)6-10-11-9(7-16-10)12(14)17-13(11)15/h5-6H,3-4,7H2,1-2H3/b8-5+,10-6-
InChIKeyPZCWRMQIPYOMAB-QYEKGNEQSA-N
XLogP2.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (3Z)-3-[(E)-2-ethylpent-2-enylidene]-1H-furo[3,4-c]furan-4,6-dione with MolForge

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Related Compounds

3-(Methoxycarbonyl)-2H-cyclohepta[b]furan-2-one
CID 10081616
Ethyl 2-oxo-2H-cyclohepta[b]furan-3-carboxylate
CID 589812
ethyl 4-methyl-2-oxo-2H-pyran-6-acetate
CID 21149526
2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, methyl ester
CID 540084
Dadiixpqssqfmz-uhfffaoysa-
CID 10421521
3-(Methoxycarbonyl)-5-(ethoxycarbonyl)-6-methyl-2-pyrone
CID 13537721
Methyl 4-(2-fluoro-4-methoxycyclopenta-2,4-dien-1-yl)-2,5-dihydrofuran-3-carboxylate
CID 135251332
(Z)-methoxy-(4-methoxycarbonyl-6a-methylfuro[2,3-b]furan-5-ylidene)methanolate
CID 134851987
Ethyl indeno[1,2-b]furan-3-carboxylate
CID 167530443
Coarctatin
CID 6453388
methyl 4-methyl-2-oxo-2H-pyran-6-acetate
CID 21149527
2H-Pyran-5-carboxylic acid, 4-methoxy-6-methyl-2-oxo-, ethyl ester
CID 540037

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[(E)-2-ethylpent-2-enylidene]-1H-furo[3,4-c]furan-4,6-dione?
The IUPAC name of (3Z)-3-[(E)-2-ethylpent-2-enylidene]-1H-furo[3,4-c]furan-4,6-dione (CID 163888047) is (3Z)-3-[(E)-2-ethylpent-2-enylidene]-1H-furo[3,4-c]furan-4,6-dione.
What is the SMILES notation for (3Z)-3-[(E)-2-ethylpent-2-enylidene]-1H-furo[3,4-c]furan-4,6-dione?
The canonical SMILES for (3Z)-3-[(E)-2-ethylpent-2-enylidene]-1H-furo[3,4-c]furan-4,6-dione is CC/C=C(/C=C1\OCC2=C1C(=O)OC2=O)CC.
What is the InChIKey of (3Z)-3-[(E)-2-ethylpent-2-enylidene]-1H-furo[3,4-c]furan-4,6-dione?
The InChIKey is PZCWRMQIPYOMAB-QYEKGNEQSA-N. The full InChI is InChI=1S/C13H14O4/c1-3-5-8(4-2)6-10-11-9(7-16-10)12(14)17-13(11)15/h5-6H,3-4,7H2,1-2H3/b8-5+,10-6-.
What are the key properties of (3Z)-3-[(E)-2-ethylpent-2-enylidene]-1H-furo[3,4-c]furan-4,6-dione?
(3Z)-3-[(E)-2-ethylpent-2-enylidene]-1H-furo[3,4-c]furan-4,6-dione has a molecular weight of 234.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[(E)-2-ethylpent-2-enylidene]-1H-furo[3,4-c]furan-4,6-dione is sourced from PubChem (CID 163888047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).