(2Z,5E)-5-ethenyl-2,4,7-trimethylnona-2,5-diene-1-diazonium

C14H23N2+ — CID 154981386

IUPAC(2Z,5E)-5-ethenyl-2,4,7-trimethylnona-2,5-diene-1-diazonium
SMILESC=C/C(=C\C(C)CC)C(C)/C=C(/C)C[N+]#N
InChIInChI=1S/C14H23N2/c1-6-11(3)9-14(7-2)13(5)8-12(4)10-16-15/h7-9,11,13H,2,6,10H2,1,3-5H3/q+1/b12-8-,14-9+
InChIKeyJRKRKFSLOXZYPJ-WNEGCBGQSA-N
MW219.35 g/mol
LogP4.58
Rot. Bonds6

About (2Z,5E)-5-ethenyl-2,4,7-trimethylnona-2,5-diene-1-diazonium

(2Z,5E)-5-ethenyl-2,4,7-trimethylnona-2,5-diene-1-diazonium (PubChem CID 154981386) has the molecular formula C14H23N2+ and a molecular weight of 219.35 g/mol. Its IUPAC name is (2Z,5E)-5-ethenyl-2,4,7-trimethylnona-2,5-diene-1-diazonium.

Molecular Properties

Compound Name(2Z,5E)-5-ethenyl-2,4,7-trimethylnona-2,5-diene-1-diazonium
PubChem CID154981386
Molecular FormulaC14H23N2+
Molecular Weight219.35 g/mol
Exact Mass219.19
IUPAC Name(2Z,5E)-5-ethenyl-2,4,7-trimethylnona-2,5-diene-1-diazonium
SMILESC=C/C(=C\C(C)CC)C(C)/C=C(/C)C[N+]#N
InChIInChI=1S/C14H23N2/c1-6-11(3)9-14(7-2)13(5)8-12(4)10-16-15/h7-9,11,13H,2,6,10H2,1,3-5H3/q+1/b12-8-,14-9+
InChIKeyJRKRKFSLOXZYPJ-WNEGCBGQSA-N
XLogP4.58
TPSA28.15 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-5-ethenyl-2,4,7-trimethylnona-2,5-diene-1-diazonium?
The IUPAC name of (2Z,5E)-5-ethenyl-2,4,7-trimethylnona-2,5-diene-1-diazonium (CID 154981386) is (2Z,5E)-5-ethenyl-2,4,7-trimethylnona-2,5-diene-1-diazonium.
What is the SMILES notation for (2Z,5E)-5-ethenyl-2,4,7-trimethylnona-2,5-diene-1-diazonium?
The canonical SMILES for (2Z,5E)-5-ethenyl-2,4,7-trimethylnona-2,5-diene-1-diazonium is C=C/C(=C\C(C)CC)C(C)/C=C(/C)C[N+]#N.
What is the InChIKey of (2Z,5E)-5-ethenyl-2,4,7-trimethylnona-2,5-diene-1-diazonium?
The InChIKey is JRKRKFSLOXZYPJ-WNEGCBGQSA-N. The full InChI is InChI=1S/C14H23N2/c1-6-11(3)9-14(7-2)13(5)8-12(4)10-16-15/h7-9,11,13H,2,6,10H2,1,3-5H3/q+1/b12-8-,14-9+.
What are the key properties of (2Z,5E)-5-ethenyl-2,4,7-trimethylnona-2,5-diene-1-diazonium?
(2Z,5E)-5-ethenyl-2,4,7-trimethylnona-2,5-diene-1-diazonium has a molecular weight of 219.35 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-5-ethenyl-2,4,7-trimethylnona-2,5-diene-1-diazonium is sourced from PubChem (CID 154981386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).