(5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid

C20H30O3 — CID 6439587

IUPAC(5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid
SMILESCCCCCC(=O)/C=C\C=C/C/C=C\C/C=C/CCCC(=O)O
InChIInChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8+,11-9-,17-14-
InChIKeyYGJTUEISKATQSM-CHCUHQEOSA-N
MW318.46 g/mol
LogP5.40
Rot. Bonds14

About (5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid

(5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid (PubChem CID 6439587) has the molecular formula C20H30O3 and a molecular weight of 318.46 g/mol. Its IUPAC name is (5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid.

Molecular Properties

Compound Name(5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid
PubChem CID6439587
Molecular FormulaC20H30O3
Molecular Weight318.46 g/mol
Exact Mass318.22
IUPAC Name(5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid
SMILESCCCCCC(=O)/C=C\C=C/C/C=C\C/C=C/CCCC(=O)O
InChIInChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8+,11-9-,17-14-
InChIKeyYGJTUEISKATQSM-CHCUHQEOSA-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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid with MolForge

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Related Compounds

(6E,8E,11Z,14E)-5-oxoicosa-6,8,11,14-tetraenoic acid
CID 124586147
(5E,9Z,11Z,14Z)-8-oxoicosa-5,9,11,14-tetraenoic acid
CID 5312977
(5E,9E,11E,14E)-8-oxoicosa-5,9,11,14-tetraenoic acid
CID 21159013
(6E,9E,11E,14E)-icosa-6,9,11,14-tetraenoic acid
CID 100915198
(7E,9Z,12Z)-octadeca-7,9,12-trienoic acid
CID 5312496
octadeca-6,9,11-trienoic acid
CID 85068576
9-oxooctadeca-10,12,15-trienoic acid
CID 3017510
(10E,12Z,15Z)-9-oxooctadeca-10,12,15-trienoic acid
CID 11380794
(2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoic acid;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;(Z)-tetracos-15-enoic acid
CID 118104873
(Z)-docos-13-enoic acid;(5E,8E,11E)-icosa-5,8,11-trienoic acid
CID 87638416
(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;nonanedioic acid
CID 161210613
(6E,9Z)-pentadeca-6,9-dienoic acid
CID 87445670

Frequently Asked Questions

What is the IUPAC name of (5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid?
The IUPAC name of (5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid (CID 6439587) is (5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid.
What is the SMILES notation for (5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid?
The canonical SMILES for (5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid is CCCCCC(=O)/C=C\C=C/C/C=C\C/C=C/CCCC(=O)O.
What is the InChIKey of (5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid?
The InChIKey is YGJTUEISKATQSM-CHCUHQEOSA-N. The full InChI is InChI=1S/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8+,11-9-,17-14-.
What are the key properties of (5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid?
(5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-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 (5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid is sourced from PubChem (CID 6439587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).