ethenyl-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]diazene

C10H16N2 — CID 155264477

IUPACethenyl-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]diazene
SMILESC=C/N=N/C(=C\C=C\C)C(C)C
InChIInChI=1S/C10H16N2/c1-5-7-8-10(9(3)4)12-11-6-2/h5-9H,2H2,1,3-4H3/b7-5+,10-8-,12-11+
InChIKeyMHLFJTKCCGTCCG-UFRKKMAGSA-N
MW164.25 g/mol
LogP3.70
Rot. Bonds4

About ethenyl-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]diazene

ethenyl-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]diazene (PubChem CID 155264477) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is ethenyl-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]diazene.

Molecular Properties

Compound Nameethenyl-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]diazene
PubChem CID155264477
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Nameethenyl-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]diazene
SMILESC=C/N=N/C(=C\C=C\C)C(C)C
InChIInChI=1S/C10H16N2/c1-5-7-8-10(9(3)4)12-11-6-2/h5-9H,2H2,1,3-4H3/b7-5+,10-8-,12-11+
InChIKeyMHLFJTKCCGTCCG-UFRKKMAGSA-N
XLogP3.70
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]diazene?
The IUPAC name of ethenyl-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]diazene (CID 155264477) is ethenyl-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]diazene.
What is the SMILES notation for ethenyl-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]diazene?
The canonical SMILES for ethenyl-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]diazene is C=C/N=N/C(=C\C=C\C)C(C)C.
What is the InChIKey of ethenyl-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]diazene?
The InChIKey is MHLFJTKCCGTCCG-UFRKKMAGSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-7-8-10(9(3)4)12-11-6-2/h5-9H,2H2,1,3-4H3/b7-5+,10-8-,12-11+.
What are the key properties of ethenyl-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]diazene?
ethenyl-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]diazene has a molecular weight of 164.25 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]diazene is sourced from PubChem (CID 155264477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).