icosa-5,8,11,14,17-pentaenoic acid

C20H30O2 — CID 3209

IUPACicosa-5,8,11,14,17-pentaenoic acid
SMILESCCC=CCC=CCC=CCC=CCC=CCCCC(=O)O
InChIInChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)
InChIKeyJAZBEHYOTPTENJ-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.99
Rot. Bonds13

About icosa-5,8,11,14,17-pentaenoic acid

icosa-5,8,11,14,17-pentaenoic acid (PubChem CID 3209) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is icosa-5,8,11,14,17-pentaenoic acid.

Molecular Properties

Compound Nameicosa-5,8,11,14,17-pentaenoic acid
PubChem CID3209
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Nameicosa-5,8,11,14,17-pentaenoic acid
SMILESCCC=CCC=CCC=CCC=CCC=CCCCC(=O)O
InChIInChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)
InChIKeyJAZBEHYOTPTENJ-UHFFFAOYSA-N
XLogP5.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.99
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'}

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Related Compounds

Linolenic Acid
CID 5280934
Arachidonic Acid
CID 444899
Doconexent
CID 445580
Palmitoleic Acid
CID 445638
Icosapent
CID 446284
Gamma-Linolenic acid
CID 5280933
Docosapentaenoic Acid
CID 5497182
cis-7-Hexadecenoic acid
CID 5318393
Stearidonic Acid
CID 5312508
Palmitelaidic acid
CID 5282745
20-Hydroxyeicosatetraenoic acid
CID 5283157
Eicosapentaenoic Acid
CID 5282847

Frequently Asked Questions

What is the IUPAC name of icosa-5,8,11,14,17-pentaenoic acid?
The IUPAC name of icosa-5,8,11,14,17-pentaenoic acid (CID 3209) is icosa-5,8,11,14,17-pentaenoic acid.
What is the SMILES notation for icosa-5,8,11,14,17-pentaenoic acid?
The canonical SMILES for icosa-5,8,11,14,17-pentaenoic acid is CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O.
What is the InChIKey of icosa-5,8,11,14,17-pentaenoic acid?
The InChIKey is JAZBEHYOTPTENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22).
What are the key properties of icosa-5,8,11,14,17-pentaenoic acid?
icosa-5,8,11,14,17-pentaenoic acid has a molecular weight of 302.46 g/mol, XLogP of 5.99, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-5,8,11,14,17-pentaenoic acid is sourced from PubChem (CID 3209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).