(5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid

C20H30O3 — CID 11151306

IUPAC(5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid
SMILESCC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,9-12H,2,7-8,13-18H2,1H3,(H,22,23)/b5-3-,6-4-,11-9-,12-10-
InChIKeyKUPSOFRTWMTZDX-TWVHMNNTSA-N
MW318.46 g/mol
LogP5.40
Rot. Bonds14

About (5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid

(5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid (PubChem CID 11151306) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is (5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid.

Molecular Properties

Compound Name(5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid
PubChem CID11151306
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name(5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid
SMILESCC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,9-12H,2,7-8,13-18H2,1H3,(H,22,23)/b5-3-,6-4-,11-9-,12-10-
InChIKeyKUPSOFRTWMTZDX-TWVHMNNTSA-N
XLogP5.40
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.40
H-Bond Donors ≤ 51
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 (5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid with MolForge

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Related Compounds

(Z)-9-oxodec-4-enoic acid
CID 12893742
tetradeca-5,8-dienedioic acid
CID 54091580
(5E,8E,11E)-hexadeca-5,8,11-trienoic acid
CID 5282810
(5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid
CID 118863896
(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid
CID 101342439
hydrogen peroxide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 87473865
(5E,8E,14E)-icosa-5,8,14-trienoic acid
CID 6439516
hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
CID 173088002
(5Z,8E,11E,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 122652036
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
CID 87290377
CID 87290377
butanedioic acid;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 161044709

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid?
The IUPAC name of (5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid (CID 11151306) is (5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid.
What is the SMILES notation for (5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid?
The canonical SMILES for (5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid is CC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid?
The InChIKey is KUPSOFRTWMTZDX-TWVHMNNTSA-N. The full InChI is InChI=1S/C20H30O3/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20(22)23/h3-6,9-12H,2,7-8,13-18H2,1H3,(H,22,23)/b5-3-,6-4-,11-9-,12-10-.
What are the key properties of (5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid?
(5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid has a molecular weight of 318.46 g/mol, XLogP of 5.40, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z,14Z)-19-oxoicosa-5,8,11,14-tetraenoic acid is sourced from PubChem (CID 11151306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).