(5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid

C20H30O4 — CID 139619829

IUPAC(5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid
SMILESCCC=CCC(O)C(=O)CC=CCC=CC/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h3-4,6-7,9-10,12-13,18,21H,2,5,8,11,14-17H2,1H3,(H,23,24)/b6-4?,9-7-,12-3?,13-10?
InChIKeySRTZIKLTFOLNLO-QSVQDVTFSA-N
MW334.46 g/mol
LogP4.37
Rot. Bonds14

About (5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid

(5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid (PubChem CID 139619829) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is (5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid.

Molecular Properties

Compound Name(5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid
PubChem CID139619829
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name(5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid
SMILESCCC=CCC(O)C(=O)CC=CCC=CC/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h3-4,6-7,9-10,12-13,18,21H,2,5,8,11,14-17H2,1H3,(H,23,24)/b6-4?,9-7-,12-3?,13-10?
InChIKeySRTZIKLTFOLNLO-QSVQDVTFSA-N
XLogP4.37
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-17-hydroxy-16-oxodocosa-4,7,10,13,19-pentaenoic acid
CID 139619832
(5Z,8Z,11Z)-tetradeca-5,8,11-trienoic acid
CID 118863896
11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
CID 53394253
(5E,8E,11E,13E,15S,17E)-15-hydroxyicosa-5,8,11,13,17-pentaenoic acid
CID 71771411
(5E,8E,14E,17E)-10,11,12-trihydroxyicosa-5,8,14,17-tetraenoic acid
CID 6439933
2-aminoacetic acid;(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoic acid
CID 42605524
icosa-8,14,17-trienoic acid
CID 54189424
octacosa-10,13,16,19,22,25-hexaenoic acid
CID 75955160
henicosa-15,18-dienoic acid
CID 169277369
(12Z,15Z)-octadeca-12,15-dienoic acid
CID 5312453
(10Z,13Z,16Z,19Z,22Z,25Z)-octacosa-10,13,16,19,22,25-hexaenoic acid
CID 52921814
(19Z,22Z,25Z,28Z,31Z)-tetratriaconta-19,22,25,28,31-pentaenoic acid
CID 14753668

Frequently Asked Questions

What is the IUPAC name of (5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid?
The IUPAC name of (5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid (CID 139619829) is (5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid.
What is the SMILES notation for (5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid?
The canonical SMILES for (5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid is CCC=CCC(O)C(=O)CC=CCC=CC/C=C\CCCC(=O)O.
What is the InChIKey of (5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid?
The InChIKey is SRTZIKLTFOLNLO-QSVQDVTFSA-N. The full InChI is InChI=1S/C20H30O4/c1-2-3-12-15-18(21)19(22)16-13-10-8-6-4-5-7-9-11-14-17-20(23)24/h3-4,6-7,9-10,12-13,18,21H,2,5,8,11,14-17H2,1H3,(H,23,24)/b6-4?,9-7-,12-3?,13-10?.
What are the key properties of (5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid?
(5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid has a molecular weight of 334.46 g/mol, XLogP of 4.37, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-15-hydroxy-14-oxoicosa-5,8,11,17-tetraenoic acid is sourced from PubChem (CID 139619829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).