(5Z,7Z,9E)-8-hydroxyicosa-2,5,7,9-tetraenoic acid

C20H32O3 — CID 173034724

IUPAC(5Z,7Z,9E)-8-hydroxyicosa-2,5,7,9-tetraenoic acid
SMILESCCCCCCCCCC/C=C/C(O)=C/C=C\CC=CC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h11,13-18,21H,2-10,12H2,1H3,(H,22,23)/b14-11-,16-13+,18-15?,19-17-
InChIKeyAEMFWCSPFCONTH-CNQIIOBESA-N
MW320.47 g/mol
LogP6.10
Rot. Bonds14

About (5Z,7Z,9E)-8-hydroxyicosa-2,5,7,9-tetraenoic acid

(5Z,7Z,9E)-8-hydroxyicosa-2,5,7,9-tetraenoic acid (PubChem CID 173034724) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is (5Z,7Z,9E)-8-hydroxyicosa-2,5,7,9-tetraenoic acid.

Molecular Properties

Compound Name(5Z,7Z,9E)-8-hydroxyicosa-2,5,7,9-tetraenoic acid
PubChem CID173034724
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name(5Z,7Z,9E)-8-hydroxyicosa-2,5,7,9-tetraenoic acid
SMILESCCCCCCCCCC/C=C/C(O)=C/C=C\CC=CC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h11,13-18,21H,2-10,12H2,1H3,(H,22,23)/b14-11-,16-13+,18-15?,19-17-
InChIKeyAEMFWCSPFCONTH-CNQIIOBESA-N
XLogP6.10
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.47
LogP ≤ 56.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 174878538
docosa-2,5,7,9,11,13-hexaenoic acid
CID 90960184
undec-2-enoic acid
CID 519180
bis(heptadec-2-enoic acid);zinc
CID 172555643
icosa-2,11-dienoic acid
CID 54537818
icosa-2,12-dienoic acid
CID 174301675
octadec-2-enoic acid;hydrochloride
CID 175477245
alumane;hexadec-2-enoic acid
CID 174818671
(Z)-oct-2-enoic acid
CID 5282713
iron;(E)-oct-2-enoic acid
CID 89456364
(E)-oct-2-enoic acid;zirconium
CID 89456417
octadeca-2,11,13-trienoic acid
CID 173322272

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z,9E)-8-hydroxyicosa-2,5,7,9-tetraenoic acid?
The IUPAC name of (5Z,7Z,9E)-8-hydroxyicosa-2,5,7,9-tetraenoic acid (CID 173034724) is (5Z,7Z,9E)-8-hydroxyicosa-2,5,7,9-tetraenoic acid.
What is the SMILES notation for (5Z,7Z,9E)-8-hydroxyicosa-2,5,7,9-tetraenoic acid?
The canonical SMILES for (5Z,7Z,9E)-8-hydroxyicosa-2,5,7,9-tetraenoic acid is CCCCCCCCCC/C=C/C(O)=C/C=C\CC=CC(=O)O.
What is the InChIKey of (5Z,7Z,9E)-8-hydroxyicosa-2,5,7,9-tetraenoic acid?
The InChIKey is AEMFWCSPFCONTH-CNQIIOBESA-N. The full InChI is InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h11,13-18,21H,2-10,12H2,1H3,(H,22,23)/b14-11-,16-13+,18-15?,19-17-.
What are the key properties of (5Z,7Z,9E)-8-hydroxyicosa-2,5,7,9-tetraenoic acid?
(5Z,7Z,9E)-8-hydroxyicosa-2,5,7,9-tetraenoic acid has a molecular weight of 320.47 g/mol, XLogP of 6.10, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z,9E)-8-hydroxyicosa-2,5,7,9-tetraenoic acid is sourced from PubChem (CID 173034724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).