(7E,9E,11E)-docosa-1,3,4,7,9,11-hexaene

C22H34 — CID 90716525

IUPAC(7E,9E,11E)-docosa-1,3,4,7,9,11-hexaene
SMILESC=CC=C=CC/C=C/C=C/C=C/CCCCCCCCCC
InChIInChI=1S/C22H34/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3,5,9,13,15,17,19,21-22H,1,4,6,8,10-12,14,16,18,20H2,2H3/b15-13+,19-17+,22-21+
InChIKeyKGDFFFCFYIOBOX-FCUZQONJSA-N
MW298.51 g/mol
LogP7.47
Rot. Bonds14

About (7E,9E,11E)-docosa-1,3,4,7,9,11-hexaene

(7E,9E,11E)-docosa-1,3,4,7,9,11-hexaene (PubChem CID 90716525) has the molecular formula C22H34 and a molecular weight of 298.51 g/mol. Its IUPAC name is (7E,9E,11E)-docosa-1,3,4,7,9,11-hexaene.

Molecular Properties

Compound Name(7E,9E,11E)-docosa-1,3,4,7,9,11-hexaene
PubChem CID90716525
Molecular FormulaC22H34
Molecular Weight298.51 g/mol
Exact Mass298.27
IUPAC Name(7E,9E,11E)-docosa-1,3,4,7,9,11-hexaene
SMILESC=CC=C=CC/C=C/C=C/C=C/CCCCCCCCCC
InChIInChI=1S/C22H34/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3,5,9,13,15,17,19,21-22H,1,4,6,8,10-12,14,16,18,20H2,2H3/b15-13+,19-17+,22-21+
InChIKeyKGDFFFCFYIOBOX-FCUZQONJSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (7E,9E,11E)-docosa-1,3,4,7,9,11-hexaene with MolForge

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Related Compounds

(3E,5E,7E,9E,11E,13E,15E)-triaconta-1,3,5,7,9,11,13,15-octaene
CID 173021038
octadeca-1,3,5,7,9,11-hexaene
CID 90906281
tricosa-1,3,5,7-tetraene
CID 90704431
henicosa-1,3,5,7,9,11,13-heptaene
CID 90898845
hexacosa-1,3,5,7,9,11,13,15,17-nonaene
CID 91421045
(3E,5E,7E,9E,11E,13E)-tricosa-1,3,5,7,9,11,13-heptaene
CID 173020960
hecta-1,3,5,7,9,11,13,15,17,19-decaene
CID 173395996
tetradeca-1,4,6-triene
CID 174048062
(4E,6E)-hexadeca-1,4,6-trien-1-one
CID 57027611
(22E)-heptatetraconta-22,24-diene
CID 56629131
(3Z)-heptadeca-1,3,9-triene
CID 175589298
(22Z,24Z)-hentriaconta-1,22,24-triene
CID 177463593

Frequently Asked Questions

What is the IUPAC name of (7E,9E,11E)-docosa-1,3,4,7,9,11-hexaene?
The IUPAC name of (7E,9E,11E)-docosa-1,3,4,7,9,11-hexaene (CID 90716525) is (7E,9E,11E)-docosa-1,3,4,7,9,11-hexaene.
What is the SMILES notation for (7E,9E,11E)-docosa-1,3,4,7,9,11-hexaene?
The canonical SMILES for (7E,9E,11E)-docosa-1,3,4,7,9,11-hexaene is C=CC=C=CC/C=C/C=C/C=C/CCCCCCCCCC.
What is the InChIKey of (7E,9E,11E)-docosa-1,3,4,7,9,11-hexaene?
The InChIKey is KGDFFFCFYIOBOX-FCUZQONJSA-N. The full InChI is InChI=1S/C22H34/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3,5,9,13,15,17,19,21-22H,1,4,6,8,10-12,14,16,18,20H2,2H3/b15-13+,19-17+,22-21+.
What are the key properties of (7E,9E,11E)-docosa-1,3,4,7,9,11-hexaene?
(7E,9E,11E)-docosa-1,3,4,7,9,11-hexaene has a molecular weight of 298.51 g/mol, XLogP of 7.47, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (7E,9E,11E)-docosa-1,3,4,7,9,11-hexaene is sourced from PubChem (CID 90716525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).