(6E,8E,10E)-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-3-methyldodeca-6,8,10-triene-1,5-dione

C19H22O5 — CID 169026784

IUPAC(6E,8E,10E)-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-3-methyldodeca-6,8,10-triene-1,5-dione
SMILESC=C1OC(=O)C(C(=O)CC(C)CC(=O)/C=C/C=C/C=C/C)=C1OC
InChIInChI=1S/C19H22O5/c1-5-6-7-8-9-10-15(20)11-13(2)12-16(21)17-18(23-4)14(3)24-19(17)22/h5-10,13H,3,11-12H2,1-2,4H3/b6-5+,8-7+,10-9+
InChIKeyFEBPBQAQCRNHKM-SUTYWZMXSA-N
MW330.38 g/mol
LogP3.20
Rot. Bonds9

About (6E,8E,10E)-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-3-methyldodeca-6,8,10-triene-1,5-dione

(6E,8E,10E)-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-3-methyldodeca-6,8,10-triene-1,5-dione (PubChem CID 169026784) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is (6E,8E,10E)-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-3-methyldodeca-6,8,10-triene-1,5-dione.

Molecular Properties

Compound Name(6E,8E,10E)-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-3-methyldodeca-6,8,10-triene-1,5-dione
PubChem CID169026784
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name(6E,8E,10E)-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-3-methyldodeca-6,8,10-triene-1,5-dione
SMILESC=C1OC(=O)C(C(=O)CC(C)CC(=O)/C=C/C=C/C=C/C)=C1OC
InChIInChI=1S/C19H22O5/c1-5-6-7-8-9-10-15(20)11-13(2)12-16(21)17-18(23-4)14(3)24-19(17)22/h5-10,13H,3,11-12H2,1-2,4H3/b6-5+,8-7+,10-9+
InChIKeyFEBPBQAQCRNHKM-SUTYWZMXSA-N
XLogP3.20
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (6E,8E,10E)-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-3-methyldodeca-6,8,10-triene-1,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6E,8E,10E)-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-3-methyldodeca-6,8,10-triene-1,5-dione?
The IUPAC name of (6E,8E,10E)-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-3-methyldodeca-6,8,10-triene-1,5-dione (CID 169026784) is (6E,8E,10E)-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-3-methyldodeca-6,8,10-triene-1,5-dione.
What is the SMILES notation for (6E,8E,10E)-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-3-methyldodeca-6,8,10-triene-1,5-dione?
The canonical SMILES for (6E,8E,10E)-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-3-methyldodeca-6,8,10-triene-1,5-dione is C=C1OC(=O)C(C(=O)CC(C)CC(=O)/C=C/C=C/C=C/C)=C1OC.
What is the InChIKey of (6E,8E,10E)-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-3-methyldodeca-6,8,10-triene-1,5-dione?
The InChIKey is FEBPBQAQCRNHKM-SUTYWZMXSA-N. The full InChI is InChI=1S/C19H22O5/c1-5-6-7-8-9-10-15(20)11-13(2)12-16(21)17-18(23-4)14(3)24-19(17)22/h5-10,13H,3,11-12H2,1-2,4H3/b6-5+,8-7+,10-9+.
What are the key properties of (6E,8E,10E)-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-3-methyldodeca-6,8,10-triene-1,5-dione?
(6E,8E,10E)-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-3-methyldodeca-6,8,10-triene-1,5-dione has a molecular weight of 330.38 g/mol, XLogP of 3.20, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8E,10E)-1-(4-methoxy-5-methylidene-2-oxofuran-3-yl)-3-methyldodeca-6,8,10-triene-1,5-dione is sourced from PubChem (CID 169026784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).