(2Z,6E,8Z)-6-methyl-8-(3-methyl-5-oxofuran-2-ylidene)-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid

C20H26O4 — CID 154812469

IUPAC(2Z,6E,8Z)-6-methyl-8-(3-methyl-5-oxofuran-2-ylidene)-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid
SMILESCC(C)=CCC/C(=C/CC/C(C)=C/C=C1\OC(=O)C=C1C)C(=O)O
InChIInChI=1S/C20H26O4/c1-14(2)7-5-9-17(20(22)23)10-6-8-15(3)11-12-18-16(4)13-19(21)24-18/h7,10-13H,5-6,8-9H2,1-4H3,(H,22,23)/b15-11+,17-10-,18-12-
InChIKeyXMGYICKYGJRMIY-DTHZJZCXSA-N
MW330.42 g/mol
LogP4.86
Rot. Bonds8

About (2Z,6E,8Z)-6-methyl-8-(3-methyl-5-oxofuran-2-ylidene)-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid

(2Z,6E,8Z)-6-methyl-8-(3-methyl-5-oxofuran-2-ylidene)-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid (PubChem CID 154812469) has the molecular formula C20H26O4 and a molecular weight of 330.42 g/mol. Its IUPAC name is (2Z,6E,8Z)-6-methyl-8-(3-methyl-5-oxofuran-2-ylidene)-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid.

Molecular Properties

Compound Name(2Z,6E,8Z)-6-methyl-8-(3-methyl-5-oxofuran-2-ylidene)-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid
PubChem CID154812469
Molecular FormulaC20H26O4
Molecular Weight330.42 g/mol
Exact Mass330.18
IUPAC Name(2Z,6E,8Z)-6-methyl-8-(3-methyl-5-oxofuran-2-ylidene)-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid
SMILESCC(C)=CCC/C(=C/CC/C(C)=C/C=C1\OC(=O)C=C1C)C(=O)O
InChIInChI=1S/C20H26O4/c1-14(2)7-5-9-17(20(22)23)10-6-8-15(3)11-12-18-16(4)13-19(21)24-18/h7,10-13H,5-6,8-9H2,1-4H3,(H,22,23)/b15-11+,17-10-,18-12-
InChIKeyXMGYICKYGJRMIY-DTHZJZCXSA-N
XLogP4.86
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z,6E,8Z)-6-methyl-8-(3-methyl-5-oxofuran-2-ylidene)-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid 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 (2Z,6E,8Z)-6-methyl-8-(3-methyl-5-oxofuran-2-ylidene)-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid?
The IUPAC name of (2Z,6E,8Z)-6-methyl-8-(3-methyl-5-oxofuran-2-ylidene)-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid (CID 154812469) is (2Z,6E,8Z)-6-methyl-8-(3-methyl-5-oxofuran-2-ylidene)-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid.
What is the SMILES notation for (2Z,6E,8Z)-6-methyl-8-(3-methyl-5-oxofuran-2-ylidene)-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid?
The canonical SMILES for (2Z,6E,8Z)-6-methyl-8-(3-methyl-5-oxofuran-2-ylidene)-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid is CC(C)=CCC/C(=C/CC/C(C)=C/C=C1\OC(=O)C=C1C)C(=O)O.
What is the InChIKey of (2Z,6E,8Z)-6-methyl-8-(3-methyl-5-oxofuran-2-ylidene)-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid?
The InChIKey is XMGYICKYGJRMIY-DTHZJZCXSA-N. The full InChI is InChI=1S/C20H26O4/c1-14(2)7-5-9-17(20(22)23)10-6-8-15(3)11-12-18-16(4)13-19(21)24-18/h7,10-13H,5-6,8-9H2,1-4H3,(H,22,23)/b15-11+,17-10-,18-12-.
What are the key properties of (2Z,6E,8Z)-6-methyl-8-(3-methyl-5-oxofuran-2-ylidene)-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid?
(2Z,6E,8Z)-6-methyl-8-(3-methyl-5-oxofuran-2-ylidene)-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid has a molecular weight of 330.42 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,6E,8Z)-6-methyl-8-(3-methyl-5-oxofuran-2-ylidene)-2-(4-methylpent-3-enyl)octa-2,6-dienoic acid is sourced from PubChem (CID 154812469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).