(4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid

C22H34O2 — CID 89050149

IUPAC(4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid
SMILESCC/C=C\C/C=C\CCCC/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,12-13,15-16,18-19H,2,5,8-11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,13-12-,16-15-,19-18-
InChIKeyZNZQZIVWRVCMMX-NBHOSATASA-N
MW330.51 g/mol
LogP6.77
Rot. Bonds15

About (4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid

(4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid (PubChem CID 89050149) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is (4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid.

Molecular Properties

Compound Name(4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid
PubChem CID89050149
Molecular FormulaC22H34O2
Molecular Weight330.51 g/mol
Exact Mass330.26
IUPAC Name(4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid
SMILESCC/C=C\C/C=C\CCCC/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,12-13,15-16,18-19H,2,5,8-11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,13-12-,16-15-,19-18-
InChIKeyZNZQZIVWRVCMMX-NBHOSATASA-N
XLogP6.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.51
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid;(7E,10E,13E,16E,19E)-docosa-7,10,13,16,19-pentaenoic acid
CID 87670467
(4Z,7E,10Z,13E,16E,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
CID 122652072
(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
(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
(4Z,8Z,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid;(9E,12E,15E)-octadeca-9,12,15-trienoic acid
CID 87552029
(4E,8E,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid
CID 131751278

Frequently Asked Questions

What is the IUPAC name of (4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid?
The IUPAC name of (4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid (CID 89050149) is (4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid.
What is the SMILES notation for (4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid?
The canonical SMILES for (4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid is CC/C=C\C/C=C\CCCC/C=C\C/C=C\C/C=C\CCC(=O)O.
What is the InChIKey of (4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid?
The InChIKey is ZNZQZIVWRVCMMX-NBHOSATASA-N. The full InChI is InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,12-13,15-16,18-19H,2,5,8-11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,13-12-,16-15-,19-18-.
What are the key properties of (4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid?
(4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid has a molecular weight of 330.51 g/mol, XLogP of 6.77, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z,10Z,16Z,19Z)-docosa-4,7,10,16,19-pentaenoic acid is sourced from PubChem (CID 89050149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).