(5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid

C20H30O4 — CID 70698743

IUPAC(5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid
SMILESCCC(O)/C=C/C=C\C=C\C(O)C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O4/c1-2-18(21)14-10-8-9-12-16-19(22)15-11-6-4-3-5-7-13-17-20(23)24/h3,5-6,8-12,14,16,18-19,21-22H,2,4,7,13,15,17H2,1H3,(H,23,24)/b5-3-,9-8-,11-6-,14-10+,16-12+
InChIKeyRWHZIKMTLJOOEH-UGKOSZQGSA-N
MW334.46 g/mol
LogP3.93
Rot. Bonds13

About (5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid

(5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid (PubChem CID 70698743) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is (5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid.

Molecular Properties

Compound Name(5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid
PubChem CID70698743
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name(5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid
SMILESCCC(O)/C=C/C=C\C=C\C(O)C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O4/c1-2-18(21)14-10-8-9-12-16-19(22)15-11-6-4-3-5-7-13-17-20(23)24/h3,5-6,8-12,14,16,18-19,21-22H,2,4,7,13,15,17H2,1H3,(H,23,24)/b5-3-,9-8-,11-6-,14-10+,16-12+
InChIKeyRWHZIKMTLJOOEH-UGKOSZQGSA-N
XLogP3.93
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid with MolForge

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Related Compounds

(4Z,7Z,10Z,13R,14E,16Z,18E,20R)-13,20-dihydroxydocosa-4,7,10,14,16,18-hexaenoic acid
CID 87059786
(5E,8E,11E,13E,15S,17E)-15-hydroxyicosa-5,8,11,13,17-pentaenoic acid
CID 71771411
11-hydroxyicosa-5,8,12,14,17-pentaenoic acid
CID 53394253
(5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid
CID 5353268
(4Z,7Z,10Z,12E,14S,16Z,18E,20S)-14,20-dihydroxydocosa-4,7,10,12,16,18-hexaenoic acid
CID 102313472
(5Z,8Z,12E,14E,17E)-11-hydroxy-16-oxoicosa-5,8,12,14,17-pentaenoic acid
CID 14016627
(7R,14S)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 123964857
(10R,17R)-10,17-dihydroxydocosa-4,7,11,13,15,19-hexaenoic acid
CID 123907385
(4Z,7S,10Z,12E,14S,16Z,19Z)-7,14-dihydroxydocosa-4,8,10,12,16,19-hexaenoic acid
CID 173048794
(10R)-10-hydroxydocosa-7,11,13,16,19-pentaenoic acid
CID 71446611
(8Z,11Z,13E,15S,17Z)-15-hydroxyicosa-8,11,13,17-tetraenoic acid
CID 118042403
(5Z,9E,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
CID 53480358

Frequently Asked Questions

What is the IUPAC name of (5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid?
The IUPAC name of (5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid (CID 70698743) is (5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid.
What is the SMILES notation for (5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid?
The canonical SMILES for (5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid is CCC(O)/C=C/C=C\C=C\C(O)C/C=C\C/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid?
The InChIKey is RWHZIKMTLJOOEH-UGKOSZQGSA-N. The full InChI is InChI=1S/C20H30O4/c1-2-18(21)14-10-8-9-12-16-19(22)15-11-6-4-3-5-7-13-17-20(23)24/h3,5-6,8-12,14,16,18-19,21-22H,2,4,7,13,15,17H2,1H3,(H,23,24)/b5-3-,9-8-,11-6-,14-10+,16-12+.
What are the key properties of (5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid?
(5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid has a molecular weight of 334.46 g/mol, XLogP of 3.93, 13 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,12E,14Z,16E)-11,18-dihydroxyicosa-5,8,12,14,16-pentaenoic acid is sourced from PubChem (CID 70698743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).