(7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid

C22H38O4 — CID 171042985

IUPAC(7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid
SMILESCCCCC/C=C\CC(O)C(O)C/C=C\C/C=C\CCCCCC(=O)O
InChIInChI=1S/C22H38O4/c1-2-3-4-5-11-14-17-20(23)21(24)18-15-12-9-7-6-8-10-13-16-19-22(25)26/h6-7,11-12,14-15,20-21,23-24H,2-5,8-10,13,16-19H2,1H3,(H,25,26)/b7-6-,14-11-,15-12-
InChIKeyINSGBWYBEGXSDL-AIVBDBLXSA-N
MW366.54 g/mol
LogP5.16
Rot. Bonds17

About (7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid

(7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid (PubChem CID 171042985) has the molecular formula C22H38O4 and a molecular weight of 366.54 g/mol. Its IUPAC name is (7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid.

Molecular Properties

Compound Name(7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid
PubChem CID171042985
Molecular FormulaC22H38O4
Molecular Weight366.54 g/mol
Exact Mass366.28
IUPAC Name(7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid
SMILESCCCCC/C=C\CC(O)C(O)C/C=C\C/C=C\CCCCCC(=O)O
InChIInChI=1S/C22H38O4/c1-2-3-4-5-11-14-17-20(23)21(24)18-15-12-9-7-6-8-10-13-16-19-22(25)26/h6-7,11-12,14-15,20-21,23-24H,2-5,8-10,13,16-19H2,1H3,(H,25,26)/b7-6-,14-11-,15-12-
InChIKeyINSGBWYBEGXSDL-AIVBDBLXSA-N
XLogP5.16
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.54
LogP ≤ 55.16
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'}

Analyze (7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid with MolForge

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Related Compounds

(5Z,11Z,14Z)-8,9-dihydroxyicosa-5,11,14-trienoic acid
CID 5283144
(5R,6R,8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoic acid
CID 25320586
(9Z,12E,15S,16R)-15,16-dihydroxyoctadeca-9,12-dienoic acid
CID 51659266
(Z)-12,13-dihydroxyoctadec-9-enoic acid
CID 10236635
(8Z,11Z,14Z,17Z,20Z)-hexacosa-8,11,14,17,20-pentaenoic acid
CID 52921820
tetracosa-9,12,15,18-tetraenoic acid
CID 75955148
(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521
heptacosa-14,17-dienoic acid
CID 169276989
octacosa-10,13,16-trienoic acid
CID 169277248
(23Z,26Z)-tetratriaconta-23,26-dienoic acid
CID 165284032
(10E,13E)-nonadeca-10,13-dienoic acid
CID 5312516
(9Z,12Z,15Z)-henicosa-9,12,15-trienoic acid
CID 14647994

Frequently Asked Questions

What is the IUPAC name of (7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid?
The IUPAC name of (7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid (CID 171042985) is (7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid.
What is the SMILES notation for (7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid?
The canonical SMILES for (7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid is CCCCC/C=C\CC(O)C(O)C/C=C\C/C=C\CCCCCC(=O)O.
What is the InChIKey of (7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid?
The InChIKey is INSGBWYBEGXSDL-AIVBDBLXSA-N. The full InChI is InChI=1S/C22H38O4/c1-2-3-4-5-11-14-17-20(23)21(24)18-15-12-9-7-6-8-10-13-16-19-22(25)26/h6-7,11-12,14-15,20-21,23-24H,2-5,8-10,13,16-19H2,1H3,(H,25,26)/b7-6-,14-11-,15-12-.
What are the key properties of (7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid?
(7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid has a molecular weight of 366.54 g/mol, XLogP of 5.16, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z,10Z,16Z)-13,14-dihydroxydocosa-7,10,16-trienoic acid is sourced from PubChem (CID 171042985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).