(5Z)-2-(2,3-dimethylidenepent-4-enyl)-4-methylidene-5-[(E)-7-methyl-6-methylideneoct-2-enylidene]-3-prop-1-en-2-ylthiophene

C25H32S — CID 126659783

About (5Z)-2-(2,3-dimethylidenepent-4-enyl)-4-methylidene-5-[(E)-7-methyl-6-methylideneoct-2-enylidene]-3-prop-1-en-2-ylthiophene

(5Z)-2-(2,3-dimethylidenepent-4-enyl)-4-methylidene-5-[(E)-7-methyl-6-methylideneoct-2-enylidene]-3-prop-1-en-2-ylthiophene (PubChem CID 126659783) has the molecular formula C25H32S and a molecular weight of 364.60 g/mol. Its IUPAC name is (5Z)-2-(2,3-dimethylidenepent-4-enyl)-4-methylidene-5-[(E)-7-methyl-6-methylideneoct-2-enylidene]-3-prop-1-en-2-ylthiophene.

Molecular Properties

• Compound Name: (5Z)-2-(2,3-dimethylidenepent-4-enyl)-4-methylidene-5-[(E)-7-methyl-6-methylideneoct-2-enylidene]-3-prop-1-en-2-ylthiophene
• PubChem CID: 126659783
• Molecular Formula: C25H32S
• Molecular Weight: 364.60 g/mol
• Exact Mass: 364.22
• IUPAC Name: (5Z)-2-(2,3-dimethylidenepent-4-enyl)-4-methylidene-5-[(E)-7-methyl-6-methylideneoct-2-enylidene]-3-prop-1-en-2-ylthiophene
• SMILES: C=CC(=C)C(=C)Cc1s/c(=C\C=C\CCC(=C)C(C)C)c(=C)c1C(=C)C
• InChI: InChI=1S/C25H32S/c1-10-19(6)21(8)16-24-25(18(4)5)22(9)23(26-24)15-13-11-12-14-20(7)17(2)3/h10-11,13,15,17H,1,4,6-9,12,14,16H2,2-3,5H3/b13-11+,23-15-
• InChIKey: YYIOJWMGAMNGJV-QCWRLZRTSA-N
• XLogP: 6.36
• TPSA: 0.00 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	364.60
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(2,3-dimethylidenepent-4-enyl)-4-methylidene-5-[(E)-7-methyl-6-methylideneoct-2-enylidene]-3-prop-1-en-2-ylthiophene?

The IUPAC name of (5Z)-2-(2,3-dimethylidenepent-4-enyl)-4-methylidene-5-[(E)-7-methyl-6-methylideneoct-2-enylidene]-3-prop-1-en-2-ylthiophene (CID 126659783) is (5Z)-2-(2,3-dimethylidenepent-4-enyl)-4-methylidene-5-[(E)-7-methyl-6-methylideneoct-2-enylidene]-3-prop-1-en-2-ylthiophene.

What is the SMILES notation for (5Z)-2-(2,3-dimethylidenepent-4-enyl)-4-methylidene-5-[(E)-7-methyl-6-methylideneoct-2-enylidene]-3-prop-1-en-2-ylthiophene?

The canonical SMILES for (5Z)-2-(2,3-dimethylidenepent-4-enyl)-4-methylidene-5-[(E)-7-methyl-6-methylideneoct-2-enylidene]-3-prop-1-en-2-ylthiophene is C=CC(=C)C(=C)Cc1s/c(=C\C=C\CCC(=C)C(C)C)c(=C)c1C(=C)C.

What is the InChIKey of (5Z)-2-(2,3-dimethylidenepent-4-enyl)-4-methylidene-5-[(E)-7-methyl-6-methylideneoct-2-enylidene]-3-prop-1-en-2-ylthiophene?

The InChIKey is YYIOJWMGAMNGJV-QCWRLZRTSA-N. The full InChI is InChI=1S/C25H32S/c1-10-19(6)21(8)16-24-25(18(4)5)22(9)23(26-24)15-13-11-12-14-20(7)17(2)3/h10-11,13,15,17H,1,4,6-9,12,14,16H2,2-3,5H3/b13-11+,23-15-.

What are the key properties of (5Z)-2-(2,3-dimethylidenepent-4-enyl)-4-methylidene-5-[(E)-7-methyl-6-methylideneoct-2-enylidene]-3-prop-1-en-2-ylthiophene?

(5Z)-2-(2,3-dimethylidenepent-4-enyl)-4-methylidene-5-[(E)-7-methyl-6-methylideneoct-2-enylidene]-3-prop-1-en-2-ylthiophene has a molecular weight of 364.60 g/mol, XLogP of 6.36, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-(2,3-dimethylidenepent-4-enyl)-4-methylidene-5-[(E)-7-methyl-6-methylideneoct-2-enylidene]-3-prop-1-en-2-ylthiophene is sourced from PubChem (CID 126659783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).