(E,4Z)-7-(furan-2-yl)-4-(furan-2-ylmethylidene)hept-6-ene-2,5-dione

C16H14O4 — CID 121298354

IUPAC(E,4Z)-7-(furan-2-yl)-4-(furan-2-ylmethylidene)hept-6-ene-2,5-dione
SMILESCC(=O)C/C(=C/c1ccco1)C(=O)/C=C/c1ccco1
InChIInChI=1S/C16H14O4/c1-12(17)10-13(11-15-5-3-9-20-15)16(18)7-6-14-4-2-8-19-14/h2-9,11H,10H2,1H3/b7-6+,13-11-
InChIKeyLADBFQAISJEXNH-UJSHDLROSA-N
MW270.28 g/mol
LogP3.52
Rot. Bonds6

About (E,4Z)-7-(furan-2-yl)-4-(furan-2-ylmethylidene)hept-6-ene-2,5-dione

(E,4Z)-7-(furan-2-yl)-4-(furan-2-ylmethylidene)hept-6-ene-2,5-dione (PubChem CID 121298354) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is (E,4Z)-7-(furan-2-yl)-4-(furan-2-ylmethylidene)hept-6-ene-2,5-dione.

Molecular Properties

Compound Name(E,4Z)-7-(furan-2-yl)-4-(furan-2-ylmethylidene)hept-6-ene-2,5-dione
PubChem CID121298354
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name(E,4Z)-7-(furan-2-yl)-4-(furan-2-ylmethylidene)hept-6-ene-2,5-dione
SMILESCC(=O)C/C(=C/c1ccco1)C(=O)/C=C/c1ccco1
InChIInChI=1S/C16H14O4/c1-12(17)10-13(11-15-5-3-9-20-15)16(18)7-6-14-4-2-8-19-14/h2-9,11H,10H2,1H3/b7-6+,13-11-
InChIKeyLADBFQAISJEXNH-UJSHDLROSA-N
XLogP3.52
TPSA60.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E,4Z)-7-(furan-2-yl)-4-(furan-2-ylmethylidene)hept-6-ene-2,5-dione with MolForge

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Related Compounds

(Z,3Z)-6-(furan-2-yl)-3-(furan-2-ylmethylidene)-4-oxohex-5-enoic acid
CID 149365337
(1E)-1-(furan-2-yl)-4-methylhexa-1,4,5-trien-3-one
CID 102297621
(E)-1-amino-4-(furan-2-yl)but-3-en-2-one
CID 82502541
CID 59090942
CID 59090942
3-(furan-2-yl)prop-2-enoic acid
CID 159116571
(E)-3-(furan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 131239465
(2Z,4E)-5-(furan-2-yl)-3-methylpenta-2,4-dienoic acid
CID 774945
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
4-(furan-2-yl)but-3-ene-2-thione
CID 170923429
(E)-3-(furan-2-yl)-N-(methoxymethoxy)prop-2-enamide
CID 110495553
(E)-4-acetyl-1-(furan-2-yl)hept-1-ene-3,5-dione
CID 144786379
(E)-3-(furan-2-yl)-N,N-dimethylprop-2-enamide
CID 11480633

Frequently Asked Questions

What is the IUPAC name of (E,4Z)-7-(furan-2-yl)-4-(furan-2-ylmethylidene)hept-6-ene-2,5-dione?
The IUPAC name of (E,4Z)-7-(furan-2-yl)-4-(furan-2-ylmethylidene)hept-6-ene-2,5-dione (CID 121298354) is (E,4Z)-7-(furan-2-yl)-4-(furan-2-ylmethylidene)hept-6-ene-2,5-dione.
What is the SMILES notation for (E,4Z)-7-(furan-2-yl)-4-(furan-2-ylmethylidene)hept-6-ene-2,5-dione?
The canonical SMILES for (E,4Z)-7-(furan-2-yl)-4-(furan-2-ylmethylidene)hept-6-ene-2,5-dione is CC(=O)C/C(=C/c1ccco1)C(=O)/C=C/c1ccco1.
What is the InChIKey of (E,4Z)-7-(furan-2-yl)-4-(furan-2-ylmethylidene)hept-6-ene-2,5-dione?
The InChIKey is LADBFQAISJEXNH-UJSHDLROSA-N. The full InChI is InChI=1S/C16H14O4/c1-12(17)10-13(11-15-5-3-9-20-15)16(18)7-6-14-4-2-8-19-14/h2-9,11H,10H2,1H3/b7-6+,13-11-.
What are the key properties of (E,4Z)-7-(furan-2-yl)-4-(furan-2-ylmethylidene)hept-6-ene-2,5-dione?
(E,4Z)-7-(furan-2-yl)-4-(furan-2-ylmethylidene)hept-6-ene-2,5-dione has a molecular weight of 270.28 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4Z)-7-(furan-2-yl)-4-(furan-2-ylmethylidene)hept-6-ene-2,5-dione is sourced from PubChem (CID 121298354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).