(3E,7Z,9Z)-5,5-dimethylundeca-1,3,7,9-tetraene;ethene;(3Z,5E)-8-ethenylundeca-1,3,5,10-tetraene

C28H42 — CID 161078348

About (3E,7Z,9Z)-5,5-dimethylundeca-1,3,7,9-tetraene;ethene;(3Z,5E)-8-ethenylundeca-1,3,5,10-tetraene

(3E,7Z,9Z)-5,5-dimethylundeca-1,3,7,9-tetraene;ethene;(3Z,5E)-8-ethenylundeca-1,3,5,10-tetraene (PubChem CID 161078348) has the molecular formula C28H42 and a molecular weight of 378.64 g/mol. Its IUPAC name is (3E,7Z,9Z)-5,5-dimethylundeca-1,3,7,9-tetraene;ethene;(3Z,5E)-8-ethenylundeca-1,3,5,10-tetraene.

Molecular Properties

• Compound Name: (3E,7Z,9Z)-5,5-dimethylundeca-1,3,7,9-tetraene;ethene;(3Z,5E)-8-ethenylundeca-1,3,5,10-tetraene
• PubChem CID: 161078348
• Molecular Formula: C28H42
• Molecular Weight: 378.64 g/mol
• Exact Mass: 378.33
• IUPAC Name: (3E,7Z,9Z)-5,5-dimethylundeca-1,3,7,9-tetraene;ethene;(3Z,5E)-8-ethenylundeca-1,3,5,10-tetraene
• SMILES: C=C.C=C/C=C/C(C)(C)C/C=C\C=C/C.C=C/C=C\C=C\CC(C=C)CC=C
• InChI: InChI=1S/C13H20.C13H18.C2H4/c1-5-7-9-10-12-13(3,4)11-8-6-2;1-4-7-8-9-10-12-13(6-3)11-5-2;1-2/h5-11H,2,12H2,1,3-4H3;4-10,13H,1-3,11-12H2;1-2H2/b7-5-,10-9-,11-8+;8-7-,10-9+
• InChIKey: UFORQGVYRRUKBM-PIJMYVGTSA-N
• XLogP: 9.13
• TPSA: 0.00 Ų
• Rotatable Bonds: 12
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	378.64
LogP ≤ 5	9.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 (3E,7Z,9Z)-5,5-dimethylundeca-1,3,7,9-tetraene;ethene;(3Z,5E)-8-ethenylundeca-1,3,5,10-tetraene?

The IUPAC name of (3E,7Z,9Z)-5,5-dimethylundeca-1,3,7,9-tetraene;ethene;(3Z,5E)-8-ethenylundeca-1,3,5,10-tetraene (CID 161078348) is (3E,7Z,9Z)-5,5-dimethylundeca-1,3,7,9-tetraene;ethene;(3Z,5E)-8-ethenylundeca-1,3,5,10-tetraene.

What is the SMILES notation for (3E,7Z,9Z)-5,5-dimethylundeca-1,3,7,9-tetraene;ethene;(3Z,5E)-8-ethenylundeca-1,3,5,10-tetraene?

The canonical SMILES for (3E,7Z,9Z)-5,5-dimethylundeca-1,3,7,9-tetraene;ethene;(3Z,5E)-8-ethenylundeca-1,3,5,10-tetraene is C=C.C=C/C=C/C(C)(C)C/C=C\C=C/C.C=C/C=C\C=C\CC(C=C)CC=C.

What is the InChIKey of (3E,7Z,9Z)-5,5-dimethylundeca-1,3,7,9-tetraene;ethene;(3Z,5E)-8-ethenylundeca-1,3,5,10-tetraene?

The InChIKey is UFORQGVYRRUKBM-PIJMYVGTSA-N. The full InChI is InChI=1S/C13H20.C13H18.C2H4/c1-5-7-9-10-12-13(3,4)11-8-6-2;1-4-7-8-9-10-12-13(6-3)11-5-2;1-2/h5-11H,2,12H2,1,3-4H3;4-10,13H,1-3,11-12H2;1-2H2/b7-5-,10-9-,11-8+;8-7-,10-9+;.

What are the key properties of (3E,7Z,9Z)-5,5-dimethylundeca-1,3,7,9-tetraene;ethene;(3Z,5E)-8-ethenylundeca-1,3,5,10-tetraene?

(3E,7Z,9Z)-5,5-dimethylundeca-1,3,7,9-tetraene;ethene;(3Z,5E)-8-ethenylundeca-1,3,5,10-tetraene has a molecular weight of 378.64 g/mol, XLogP of 9.13, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for (3E,7Z,9Z)-5,5-dimethylundeca-1,3,7,9-tetraene;ethene;(3Z,5E)-8-ethenylundeca-1,3,5,10-tetraene is sourced from PubChem (CID 161078348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).