(4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid

C22H32O4 — CID 171730312

IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid
SMILESCC/C=C\C/C=C\C/C(O)=C(/O)C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H32O4/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/h3-4,6-7,10-15,23-24H,2,5,8-9,16-19H2,1H3,(H,25,26)/b4-3-,7-6-,13-10-,14-11-,15-12-,21-20-
InChIKeyOQQKLGWDKZYIOC-JGLQZOPSSA-N
MW360.49 g/mol
LogP6.32
Rot. Bonds14

About (4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid

(4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid (PubChem CID 171730312) has the molecular formula C22H32O4 and a molecular weight of 360.49 g/mol. Its IUPAC name is (4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid.

Molecular Properties

Compound Name(4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid
PubChem CID171730312
Molecular FormulaC22H32O4
Molecular Weight360.49 g/mol
Exact Mass360.23
IUPAC Name(4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid
SMILESCC/C=C\C/C=C\C/C(O)=C(/O)C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H32O4/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/h3-4,6-7,10-15,23-24H,2,5,8-9,16-19H2,1H3,(H,25,26)/b4-3-,7-6-,13-10-,14-11-,15-12-,21-20-
InChIKeyOQQKLGWDKZYIOC-JGLQZOPSSA-N
XLogP6.32
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.49
LogP ≤ 56.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid with MolForge

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Related Compounds

(4Z,7Z,10Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 118537232
(4E,7Z,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652065
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072
(4E,7Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 151038001
(4E,7E,10E,13E,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 57417355
(19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 175738679
(4E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 132895583
(4E,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 13034934
(4Z,7E,10E,13Z,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122651975
(4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid
CID 131751278
(4E,8E,12E,15E,19E)-docosa-4,8,12,15,19-pentaenoic acid
CID 5282849
(4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid
CID 89050149

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid?
The IUPAC name of (4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid (CID 171730312) is (4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid.
What is the SMILES notation for (4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid?
The canonical SMILES for (4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid is CC/C=C\C/C=C\C/C(O)=C(/O)C/C=C\C/C=C\C/C=C\CCC(=O)O.
What is the InChIKey of (4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid?
The InChIKey is OQQKLGWDKZYIOC-JGLQZOPSSA-N. The full InChI is InChI=1S/C22H32O4/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/h3-4,6-7,10-15,23-24H,2,5,8-9,16-19H2,1H3,(H,25,26)/b4-3-,7-6-,13-10-,14-11-,15-12-,21-20-.
What are the key properties of (4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid?
(4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid has a molecular weight of 360.49 g/mol, XLogP of 6.32, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,13Z,16Z,19Z)-13,14-dihydroxydocosa-4,7,10,13,16,19-hexaenoic acid is sourced from PubChem (CID 171730312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).