17-hydroxydocosa-4,7,10,13,15-pentaenoic acid

C22H34O3 — CID 73026130

IUPAC17-hydroxydocosa-4,7,10,13,15-pentaenoic acid
SMILESCCCCCC(O)C=CC=CCC=CCC=CCC=CCCC(=O)O
InChIInChI=1S/C22H34O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h5-8,11-14,16,19,21,23H,2-4,9-10,15,17-18,20H2,1H3,(H,24,25)
InChIKeyFIGZGSKWTDIPGX-UHFFFAOYSA-N
MW346.51 g/mol
LogP5.74
Rot. Bonds15

About 17-hydroxydocosa-4,7,10,13,15-pentaenoic acid

17-hydroxydocosa-4,7,10,13,15-pentaenoic acid (PubChem CID 73026130) has the molecular formula C22H34O3 and a molecular weight of 346.51 g/mol. Its IUPAC name is 17-hydroxydocosa-4,7,10,13,15-pentaenoic acid.

Molecular Properties

Compound Name17-hydroxydocosa-4,7,10,13,15-pentaenoic acid
PubChem CID73026130
Molecular FormulaC22H34O3
Molecular Weight346.51 g/mol
Exact Mass346.25
IUPAC Name17-hydroxydocosa-4,7,10,13,15-pentaenoic acid
SMILESCCCCCC(O)C=CC=CCC=CCC=CCC=CCCC(=O)O
InChIInChI=1S/C22H34O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h5-8,11-14,16,19,21,23H,2-4,9-10,15,17-18,20H2,1H3,(H,24,25)
InChIKeyFIGZGSKWTDIPGX-UHFFFAOYSA-N
XLogP5.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.51
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

(4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid
CID 6443898
(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid
CID 5283141
(5Z,8Z,10E,12S)-12-hydroxyicosa-5,8,10-trienoic acid
CID 10087517
(5R,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 5283165
7-hydroxydocosa-4,8,10,13,16-pentaenoic acid
CID 73021200
(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
(4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-pentaenoic acid
CID 170058257
(6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid
CID 124636388
(6Z,9Z,11E)-13-hydroxyoctadeca-6,9,11-trienoate
CID 59755726
methyl (5Z,8Z,11Z,13E)-15-hydroxyicosa-5,8,11,13-tetraenoate
CID 13213512
(9R,10E,12E,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid
CID 124934195
(9R,10E)-9-hydroxyoctadeca-10,12-dienoic acid
CID 170924408

Frequently Asked Questions

What is the IUPAC name of 17-hydroxydocosa-4,7,10,13,15-pentaenoic acid?
The IUPAC name of 17-hydroxydocosa-4,7,10,13,15-pentaenoic acid (CID 73026130) is 17-hydroxydocosa-4,7,10,13,15-pentaenoic acid.
What is the SMILES notation for 17-hydroxydocosa-4,7,10,13,15-pentaenoic acid?
The canonical SMILES for 17-hydroxydocosa-4,7,10,13,15-pentaenoic acid is CCCCCC(O)C=CC=CCC=CCC=CCC=CCCC(=O)O.
What is the InChIKey of 17-hydroxydocosa-4,7,10,13,15-pentaenoic acid?
The InChIKey is FIGZGSKWTDIPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h5-8,11-14,16,19,21,23H,2-4,9-10,15,17-18,20H2,1H3,(H,24,25).
What are the key properties of 17-hydroxydocosa-4,7,10,13,15-pentaenoic acid?
17-hydroxydocosa-4,7,10,13,15-pentaenoic acid has a molecular weight of 346.51 g/mol, XLogP of 5.74, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-hydroxydocosa-4,7,10,13,15-pentaenoic acid is sourced from PubChem (CID 73026130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).