[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-tetradecan-7-yldiazene

C22H38N2 — CID 166675883

IUPAC[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-tetradecan-7-yldiazene
SMILESC=C/C=C\C(=C/C=C)\N=N\C(CCCCCC)CCCCCCC
InChIInChI=1S/C22H38N2/c1-5-9-12-14-16-20-22(19-15-13-10-6-2)24-23-21(17-8-4)18-11-7-3/h7-8,11,17-18,22H,3-6,9-10,12-16,19-20H2,1-2H3/b18-11-,21-17+,24-23+
InChIKeyKYAOPJQVBPXDEK-YWRPBEEESA-N
MW330.56 g/mol
LogP7.95
Rot. Bonds16

About [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-tetradecan-7-yldiazene

[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-tetradecan-7-yldiazene (PubChem CID 166675883) has the molecular formula C22H38N2 and a molecular weight of 330.56 g/mol. Its IUPAC name is [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-tetradecan-7-yldiazene.

Molecular Properties

Compound Name[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-tetradecan-7-yldiazene
PubChem CID166675883
Molecular FormulaC22H38N2
Molecular Weight330.56 g/mol
Exact Mass330.30
IUPAC Name[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-tetradecan-7-yldiazene
SMILESC=C/C=C\C(=C/C=C)\N=N\C(CCCCCC)CCCCCCC
InChIInChI=1S/C22H38N2/c1-5-9-12-14-16-20-22(19-15-13-10-6-2)24-23-21(17-8-4)18-11-7-3/h7-8,11,17-18,22H,3-6,9-10,12-16,19-20H2,1-2H3/b18-11-,21-17+,24-23+
InChIKeyKYAOPJQVBPXDEK-YWRPBEEESA-N
XLogP7.95
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.56
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-tetradecan-7-yldiazene with MolForge

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Related Compounds

(3Z)-N-ethenyl-6-pentyldodeca-1,3-dien-5-imine
CID 170061142
undec-1-en-3-ol
CID 3015762
(3R)-dec-1-en-3-ol
CID 12619485
heptadec-1-en-3-ol
CID 11858939
N-[(1Z)-buta-1,3-dienyl]-4-hexylundec-1-en-3-imine
CID 138554241
(3Z,5Z)-5-ethylidenedodeca-1,3-diene
CID 143713569
N-dodecan-6-ylundecan-6-imine
CID 134421092
(3Z,5Z,6R)-5-ethylidene-6-methyldeca-1,3-diene
CID 144579667
(3E)-undeca-1,3-dien-6-ol
CID 15579179
hexyl (2E,3Z)-2-prop-2-enylidenehexa-3,5-dienedithioate
CID 130427963
3-bromoundec-1-ene
CID 15852002
(15E)-octadeca-15,17-dien-6-amine
CID 142684215

Frequently Asked Questions

What is the IUPAC name of [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-tetradecan-7-yldiazene?
The IUPAC name of [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-tetradecan-7-yldiazene (CID 166675883) is [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-tetradecan-7-yldiazene.
What is the SMILES notation for [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-tetradecan-7-yldiazene?
The canonical SMILES for [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-tetradecan-7-yldiazene is C=C/C=C\C(=C/C=C)\N=N\C(CCCCCC)CCCCCCC.
What is the InChIKey of [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-tetradecan-7-yldiazene?
The InChIKey is KYAOPJQVBPXDEK-YWRPBEEESA-N. The full InChI is InChI=1S/C22H38N2/c1-5-9-12-14-16-20-22(19-15-13-10-6-2)24-23-21(17-8-4)18-11-7-3/h7-8,11,17-18,22H,3-6,9-10,12-16,19-20H2,1-2H3/b18-11-,21-17+,24-23+.
What are the key properties of [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-tetradecan-7-yldiazene?
[(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-tetradecan-7-yldiazene has a molecular weight of 330.56 g/mol, XLogP of 7.95, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E,5Z)-octa-1,3,5,7-tetraen-4-yl]-tetradecan-7-yldiazene is sourced from PubChem (CID 166675883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).