(4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid

C22H34O4 — CID 11667680

IUPAC(4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid
SMILESCCCCC/C=C\CC(O)/C=C/C=C\CC(O)/C=C/C=C\CCC(=O)O
InChIInChI=1S/C22H34O4/c1-2-3-4-5-6-10-15-20(23)17-12-9-13-18-21(24)16-11-7-8-14-19-22(25)26/h6-13,16-17,20-21,23-24H,2-5,14-15,18-19H2,1H3,(H,25,26)/b8-7-,10-6-,13-9-,16-11+,17-12+
InChIKeyDOONJIAALCHYIC-KBZIKGBUSA-N
MW362.51 g/mol
LogP4.71
Rot. Bonds15

About (4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid

(4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid (PubChem CID 11667680) has the molecular formula C22H34O4 and a molecular weight of 362.51 g/mol. Its IUPAC name is (4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid.

Molecular Properties

Compound Name(4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid
PubChem CID11667680
Molecular FormulaC22H34O4
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name(4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid
SMILESCCCCC/C=C\CC(O)/C=C/C=C\CC(O)/C=C/C=C\CCC(=O)O
InChIInChI=1S/C22H34O4/c1-2-3-4-5-6-10-15-20(23)17-12-9-13-18-21(24)16-11-7-8-14-19-22(25)26/h6-13,16-17,20-21,23-24H,2-5,14-15,18-19H2,1H3,(H,25,26)/b8-7-,10-6-,13-9-,16-11+,17-12+
InChIKeyDOONJIAALCHYIC-KBZIKGBUSA-N
XLogP4.71
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 54.71
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 (4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid with MolForge

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Related Compounds

(4Z,6E,10Z,12Z,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid
CID 25020398
(6E,9R,10E,12E)-9-hydroxyoctadeca-6,10,12-trienoic acid
CID 163195148
7-hydroxydocosa-4,8,10,13,16-pentaenoic acid
CID 73021200
(5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid
CID 5353268
(5Z,9E,11Z,13E)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
CID 53480358
(8S,15S)-8,15-dihydroxyicosa-5,9,11,13-tetraenoic acid
CID 6610237
(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid;(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoic acid;(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
CID 160932335
docosa-4,8,10,12,16-pentaenoic acid
CID 91288840
(9Z,11E,15Z)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 10469728
(9E,11E,15E)-13-hydroxyoctadeca-9,11,15-trienoic acid
CID 22041877
(2Z,5Z,7E,11Z,14Z)-9-hydroxyicosa-2,5,7,11,14-pentaenoic acid
CID 14056119
(5S,6Z,8E,12R,14Z)-5,12-dihydroxyicosa-6,8,14-trienoic acid
CID 102066671

Frequently Asked Questions

What is the IUPAC name of (4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid?
The IUPAC name of (4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid (CID 11667680) is (4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid.
What is the SMILES notation for (4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid?
The canonical SMILES for (4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid is CCCCC/C=C\CC(O)/C=C/C=C\CC(O)/C=C/C=C\CCC(=O)O.
What is the InChIKey of (4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid?
The InChIKey is DOONJIAALCHYIC-KBZIKGBUSA-N. The full InChI is InChI=1S/C22H34O4/c1-2-3-4-5-6-10-15-20(23)17-12-9-13-18-21(24)16-11-7-8-14-19-22(25)26/h6-13,16-17,20-21,23-24H,2-5,14-15,18-19H2,1H3,(H,25,26)/b8-7-,10-6-,13-9-,16-11+,17-12+.
What are the key properties of (4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid?
(4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid has a molecular weight of 362.51 g/mol, XLogP of 4.71, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E,10Z,12E,16Z)-8,14-dihydroxydocosa-4,6,10,12,16-pentaenoic acid is sourced from PubChem (CID 11667680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).