[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-trimethylazanium

C11H20N+ — CID 143141441

IUPAC[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-trimethylazanium
SMILESC=C/C(=C\C=C/C)C[N+](C)(C)C
InChIInChI=1S/C11H20N/c1-6-8-9-11(7-2)10-12(3,4)5/h6-9H,2,10H2,1,3-5H3/q+1/b8-6-,11-9+
InChIKeyWWOFQTJZBWOXRL-ZOEDNYEGSA-N
MW166.29 g/mol
LogP2.38
Rot. Bonds4

About [(2E,4Z)-2-ethenylhexa-2,4-dienyl]-trimethylazanium

[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-trimethylazanium (PubChem CID 143141441) has the molecular formula C11H20N+ and a molecular weight of 166.29 g/mol. Its IUPAC name is [(2E,4Z)-2-ethenylhexa-2,4-dienyl]-trimethylazanium.

Molecular Properties

Compound Name[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-trimethylazanium
PubChem CID143141441
Molecular FormulaC11H20N+
Molecular Weight166.29 g/mol
Exact Mass166.16
IUPAC Name[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-trimethylazanium
SMILESC=C/C(=C\C=C/C)C[N+](C)(C)C
InChIInChI=1S/C11H20N/c1-6-8-9-11(7-2)10-12(3,4)5/h6-9H,2,10H2,1,3-5H3/q+1/b8-6-,11-9+
InChIKeyWWOFQTJZBWOXRL-ZOEDNYEGSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2E,4Z)-2-ethenylhexa-2,4-dienyl]-trimethylazanium?
The IUPAC name of [(2E,4Z)-2-ethenylhexa-2,4-dienyl]-trimethylazanium (CID 143141441) is [(2E,4Z)-2-ethenylhexa-2,4-dienyl]-trimethylazanium.
What is the SMILES notation for [(2E,4Z)-2-ethenylhexa-2,4-dienyl]-trimethylazanium?
The canonical SMILES for [(2E,4Z)-2-ethenylhexa-2,4-dienyl]-trimethylazanium is C=C/C(=C\C=C/C)C[N+](C)(C)C.
What is the InChIKey of [(2E,4Z)-2-ethenylhexa-2,4-dienyl]-trimethylazanium?
The InChIKey is WWOFQTJZBWOXRL-ZOEDNYEGSA-N. The full InChI is InChI=1S/C11H20N/c1-6-8-9-11(7-2)10-12(3,4)5/h6-9H,2,10H2,1,3-5H3/q+1/b8-6-,11-9+.
What are the key properties of [(2E,4Z)-2-ethenylhexa-2,4-dienyl]-trimethylazanium?
[(2E,4Z)-2-ethenylhexa-2,4-dienyl]-trimethylazanium has a molecular weight of 166.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2E,4Z)-2-ethenylhexa-2,4-dienyl]-trimethylazanium is sourced from PubChem (CID 143141441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).