7,8-dihydroxydocosa-2,4,6,8,10-pentaenoic acid

C22H34O4 — CID 169110944

IUPAC7,8-dihydroxydocosa-2,4,6,8,10-pentaenoic acid
SMILESCCCCCCCCCCCC=CC=C(O)C(O)=CC=CC=CC(=O)O
InChIInChI=1S/C22H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20(23)21(24)18-15-13-16-19-22(25)26/h12-19,23-24H,2-11H2,1H3,(H,25,26)
InChIKeyNOVDQXULULDKAX-UHFFFAOYSA-N
MW362.51 g/mol
LogP6.54
Rot. Bonds15

About 7,8-dihydroxydocosa-2,4,6,8,10-pentaenoic acid

7,8-dihydroxydocosa-2,4,6,8,10-pentaenoic acid (PubChem CID 169110944) has the molecular formula C22H34O4 and a molecular weight of 362.51 g/mol. Its IUPAC name is 7,8-dihydroxydocosa-2,4,6,8,10-pentaenoic acid.

Molecular Properties

Compound Name7,8-dihydroxydocosa-2,4,6,8,10-pentaenoic acid
PubChem CID169110944
Molecular FormulaC22H34O4
Molecular Weight362.51 g/mol
Exact Mass362.25
IUPAC Name7,8-dihydroxydocosa-2,4,6,8,10-pentaenoic acid
SMILESCCCCCCCCCCCC=CC=C(O)C(O)=CC=CC=CC(=O)O
InChIInChI=1S/C22H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20(23)21(24)18-15-13-16-19-22(25)26/h12-19,23-24H,2-11H2,1H3,(H,25,26)
InChIKeyNOVDQXULULDKAX-UHFFFAOYSA-N
XLogP6.54
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 56.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

(2E,4E,6E,8E)-henicosa-2,4,6,8-tetraenoic acid
CID 71774758
heptadeca-2,4,6-trienoic acid
CID 54182900
(2Z,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 142697366
(2E,4Z,6Z,8E,10Z)-docosa-2,4,6,8,10-pentaenoic acid
CID 122652082
docosa-2,4,6,8-tetraenoic acid
CID 158920983
(2E,4E)-docosa-2,4,6,8,10-pentaenoic acid
CID 156787428
(2E)-octadeca-2,4,6,8-tetraenoic acid
CID 89498479
tricosa-2,4,6,8-tetraenoic acid
CID 53406034
(2E,4E,6E,8E,10E,12E)-docosa-2,4,6,8,10,12-hexaenoic acid;(2E,4E,6E,8E,10E)-icosa-2,4,6,8,10-pentaenoic acid
CID 18424809
(2E,4E,6Z,8Z,10Z,12E)-docosa-2,4,6,8,10,12-hexaenoic acid
CID 175729583
(2E,4Z,6Z,8E)-hexadeca-2,4,6,8-tetraenoic acid
CID 21158972
nonacosa-2,4,6-trienoic acid
CID 54271388

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydroxydocosa-2,4,6,8,10-pentaenoic acid?
The IUPAC name of 7,8-dihydroxydocosa-2,4,6,8,10-pentaenoic acid (CID 169110944) is 7,8-dihydroxydocosa-2,4,6,8,10-pentaenoic acid.
What is the SMILES notation for 7,8-dihydroxydocosa-2,4,6,8,10-pentaenoic acid?
The canonical SMILES for 7,8-dihydroxydocosa-2,4,6,8,10-pentaenoic acid is CCCCCCCCCCCC=CC=C(O)C(O)=CC=CC=CC(=O)O.
What is the InChIKey of 7,8-dihydroxydocosa-2,4,6,8,10-pentaenoic acid?
The InChIKey is NOVDQXULULDKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20(23)21(24)18-15-13-16-19-22(25)26/h12-19,23-24H,2-11H2,1H3,(H,25,26).
What are the key properties of 7,8-dihydroxydocosa-2,4,6,8,10-pentaenoic acid?
7,8-dihydroxydocosa-2,4,6,8,10-pentaenoic acid has a molecular weight of 362.51 g/mol, XLogP of 6.54, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydroxydocosa-2,4,6,8,10-pentaenoic acid is sourced from PubChem (CID 169110944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).