bis[(3Z)-5-methylhexa-1,3,5-trien-2-yl]diazene

C14H18N2 — CID 144521970

IUPACbis[(3Z)-5-methylhexa-1,3,5-trien-2-yl]diazene
SMILESC=C(C)/C=C\C(=C)/N=N/C(=C)/C=C/C(=C)C
InChIInChI=1S/C14H18N2/c1-11(2)7-9-13(5)15-16-14(6)10-8-12(3)4/h7-10H,1,3,5-6H2,2,4H3/b9-7-,10-8-,16-15+
InChIKeyYCNMKQISHBBVNX-ASSKPWGTSA-N
MW214.31 g/mol
LogP4.73
Rot. Bonds6

About bis[(3Z)-5-methylhexa-1,3,5-trien-2-yl]diazene

bis[(3Z)-5-methylhexa-1,3,5-trien-2-yl]diazene (PubChem CID 144521970) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is bis[(3Z)-5-methylhexa-1,3,5-trien-2-yl]diazene.

Molecular Properties

Compound Namebis[(3Z)-5-methylhexa-1,3,5-trien-2-yl]diazene
PubChem CID144521970
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Namebis[(3Z)-5-methylhexa-1,3,5-trien-2-yl]diazene
SMILESC=C(C)/C=C\C(=C)/N=N/C(=C)/C=C/C(=C)C
InChIInChI=1S/C14H18N2/c1-11(2)7-9-13(5)15-16-14(6)10-8-12(3)4/h7-10H,1,3,5-6H2,2,4H3/b9-7-,10-8-,16-15+
InChIKeyYCNMKQISHBBVNX-ASSKPWGTSA-N
XLogP4.73
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.73
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 bis[(3Z)-5-methylhexa-1,3,5-trien-2-yl]diazene?
The IUPAC name of bis[(3Z)-5-methylhexa-1,3,5-trien-2-yl]diazene (CID 144521970) is bis[(3Z)-5-methylhexa-1,3,5-trien-2-yl]diazene.
What is the SMILES notation for bis[(3Z)-5-methylhexa-1,3,5-trien-2-yl]diazene?
The canonical SMILES for bis[(3Z)-5-methylhexa-1,3,5-trien-2-yl]diazene is C=C(C)/C=C\C(=C)/N=N/C(=C)/C=C/C(=C)C.
What is the InChIKey of bis[(3Z)-5-methylhexa-1,3,5-trien-2-yl]diazene?
The InChIKey is YCNMKQISHBBVNX-ASSKPWGTSA-N. The full InChI is InChI=1S/C14H18N2/c1-11(2)7-9-13(5)15-16-14(6)10-8-12(3)4/h7-10H,1,3,5-6H2,2,4H3/b9-7-,10-8-,16-15+.
What are the key properties of bis[(3Z)-5-methylhexa-1,3,5-trien-2-yl]diazene?
bis[(3Z)-5-methylhexa-1,3,5-trien-2-yl]diazene has a molecular weight of 214.31 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(3Z)-5-methylhexa-1,3,5-trien-2-yl]diazene is sourced from PubChem (CID 144521970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).