(11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate

C26H43O2- — CID 86289180

IUPAC(11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)[O-]
InChIInChI=1S/C26H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-25H2,1H3,(H,27,28)/p-1/b7-6-,10-9-,13-12-,16-15-
InChIKeyICYODDOZZLYLIV-DOFZRALJSA-M
MW387.63 g/mol
LogP7.22
Rot. Bonds20

About (11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate

(11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate (PubChem CID 86289180) has the molecular formula C26H43O2- and a molecular weight of 387.63 g/mol. Its IUPAC name is (11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate.

Molecular Properties

Compound Name(11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate
PubChem CID86289180
Molecular FormulaC26H43O2-
Molecular Weight387.63 g/mol
Exact Mass387.33
IUPAC Name(11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)[O-]
InChIInChI=1S/C26H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-25H2,1H3,(H,27,28)/p-1/b7-6-,10-9-,13-12-,16-15-
InChIKeyICYODDOZZLYLIV-DOFZRALJSA-M
XLogP7.22
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.63
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate with MolForge

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Related Compounds

(10Z,13Z,16Z)-docosa-10,13,16-trienoate
CID 86289994
(8Z,11Z,14Z,17Z)-tricosa-8,11,14,17-tetraenoate
CID 140590497
iron(3+);tris((9Z,12Z)-octadeca-9,12-dienoate)
CID 20842033
sodium icosa-11,14-dienoate
CID 155896893
tetrakis((9Z,12Z)-octadeca-9,12-dienoate);zirconium(4+)
CID 122706867
cerium(4+);tetrakis((9Z,12Z)-octadeca-9,12-dienoate)
CID 173279431
sodium (11Z,14Z)-icosa-11,14-dienoate
CID 155906051
bis((9Z,12Z)-octadeca-9,12-dienoate);oxygen(2-);titanium(4+)
CID 159769505
azanium (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
CID 162516291
(5Z,11Z,14Z)-icosa-5,11,14-trienoate
CID 40575468
(E)-triacont-15-enoate
CID 59800253
hexakis((Z)-octadec-9-enoate);uranium
CID 173422763

Frequently Asked Questions

What is the IUPAC name of (11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate?
The IUPAC name of (11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate (CID 86289180) is (11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate.
What is the SMILES notation for (11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate?
The canonical SMILES for (11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate is CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)[O-].
What is the InChIKey of (11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate?
The InChIKey is ICYODDOZZLYLIV-DOFZRALJSA-M. The full InChI is InChI=1S/C26H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-25H2,1H3,(H,27,28)/p-1/b7-6-,10-9-,13-12-,16-15-.
What are the key properties of (11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate?
(11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate has a molecular weight of 387.63 g/mol, XLogP of 7.22, 20 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z,14Z,17Z,20Z)-hexacosa-11,14,17,20-tetraenoate is sourced from PubChem (CID 86289180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).