methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene

C10H16N2 — CID 88964772

IUPACmethyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene
SMILESC=C(/C=C\C(C)/C=C\C)/N=N/C
InChIInChI=1S/C10H16N2/c1-5-6-9(2)7-8-10(3)12-11-4/h5-9H,3H2,1-2,4H3/b6-5-,8-7-,12-11+
InChIKeyGIARDMDMTTZULD-KUTMVHEYSA-N
MW164.25 g/mol
LogP3.35
Rot. Bonds4

About methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene

methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene (PubChem CID 88964772) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene.

Molecular Properties

Compound Namemethyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene
PubChem CID88964772
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Namemethyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene
SMILESC=C(/C=C\C(C)/C=C\C)/N=N/C
InChIInChI=1S/C10H16N2/c1-5-6-9(2)7-8-10(3)12-11-4/h5-9H,3H2,1-2,4H3/b6-5-,8-7-,12-11+
InChIKeyGIARDMDMTTZULD-KUTMVHEYSA-N
XLogP3.35
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 ≤ 53.35
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene?
The IUPAC name of methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene (CID 88964772) is methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene.
What is the SMILES notation for methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene?
The canonical SMILES for methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene is C=C(/C=C\C(C)/C=C\C)/N=N/C.
What is the InChIKey of methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene?
The InChIKey is GIARDMDMTTZULD-KUTMVHEYSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-6-9(2)7-8-10(3)12-11-4/h5-9H,3H2,1-2,4H3/b6-5-,8-7-,12-11+.
What are the key properties of methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene?
methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene has a molecular weight of 164.25 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(3Z,6Z)-5-methylocta-1,3,6-trien-2-yl]diazene is sourced from PubChem (CID 88964772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).