(5E,7E,9E)-docosa-2,3,5,7,9-pentaenoic acid

C22H34O2 — CID 24999290

IUPAC(5E,7E,9E)-docosa-2,3,5,7,9-pentaenoic acid
SMILESCCCCCCCCCCCC/C=C/C=C/C=C/C=C=CC(=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/h13-19,21H,2-12H2,1H3,(H,23,24)/b14-13+,16-15+,18-17+
InChIKeyVTEBJNPAFJSSPE-JYASHPIESA-N
MW330.51 g/mol
LogP6.76
Rot. Bonds15

About (5E,7E,9E)-docosa-2,3,5,7,9-pentaenoic acid

(5E,7E,9E)-docosa-2,3,5,7,9-pentaenoic acid (PubChem CID 24999290) has the molecular formula C22H34O2 and a molecular weight of 330.51 g/mol. Its IUPAC name is (5E,7E,9E)-docosa-2,3,5,7,9-pentaenoic acid.

Molecular Properties

Compound Name(5E,7E,9E)-docosa-2,3,5,7,9-pentaenoic acid
PubChem CID24999290
Molecular FormulaC22H34O2
Molecular Weight330.51 g/mol
Exact Mass330.26
IUPAC Name(5E,7E,9E)-docosa-2,3,5,7,9-pentaenoic acid
SMILESCCCCCCCCCCCC/C=C/C=C/C=C/C=C=CC(=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/h13-19,21H,2-12H2,1H3,(H,23,24)/b14-13+,16-15+,18-17+
InChIKeyVTEBJNPAFJSSPE-JYASHPIESA-N
XLogP6.76
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 ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (5E,7E,9E)-docosa-2,3,5,7,9-pentaenoic acid?
The IUPAC name of (5E,7E,9E)-docosa-2,3,5,7,9-pentaenoic acid (CID 24999290) is (5E,7E,9E)-docosa-2,3,5,7,9-pentaenoic acid.
What is the SMILES notation for (5E,7E,9E)-docosa-2,3,5,7,9-pentaenoic acid?
The canonical SMILES for (5E,7E,9E)-docosa-2,3,5,7,9-pentaenoic acid is CCCCCCCCCCCC/C=C/C=C/C=C/C=C=CC(=O)O.
What is the InChIKey of (5E,7E,9E)-docosa-2,3,5,7,9-pentaenoic acid?
The InChIKey is VTEBJNPAFJSSPE-JYASHPIESA-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/h13-19,21H,2-12H2,1H3,(H,23,24)/b14-13+,16-15+,18-17+.
What are the key properties of (5E,7E,9E)-docosa-2,3,5,7,9-pentaenoic acid?
(5E,7E,9E)-docosa-2,3,5,7,9-pentaenoic acid has a molecular weight of 330.51 g/mol, XLogP of 6.76, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7E,9E)-docosa-2,3,5,7,9-pentaenoic acid is sourced from PubChem (CID 24999290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).