icosa-4,8,15,18,19-pentaenoic acid

C20H30O2 — CID 140558625

IUPACicosa-4,8,15,18,19-pentaenoic acid
SMILESC=C=CCC=CCCCCCC=CCCC=CCCC(=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/h3,5-6,12-13,16-17H,1,4,7-11,14-15,18-19H2,(H,21,22)
InChIKeyAXSQENDTILAOGR-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.98
Rot. Bonds14

About icosa-4,8,15,18,19-pentaenoic acid

icosa-4,8,15,18,19-pentaenoic acid (PubChem CID 140558625) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is icosa-4,8,15,18,19-pentaenoic acid.

Molecular Properties

Compound Nameicosa-4,8,15,18,19-pentaenoic acid
PubChem CID140558625
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Nameicosa-4,8,15,18,19-pentaenoic acid
SMILESC=C=CCC=CCCCCCC=CCCC=CCCC(=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/h3,5-6,12-13,16-17H,1,4,7-11,14-15,18-19H2,(H,21,22)
InChIKeyAXSQENDTILAOGR-UHFFFAOYSA-N
XLogP5.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.98
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

(4Z)-hexadeca-4,7,10-trienedioic acid
CID 86752598
(E)-pentadec-4-enedioic acid
CID 156873655
(E)-octadec-4-enedioic acid
CID 166071490
(8Z)-heptadeca-4,5,8-trienoic acid
CID 88698518
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
(4E,7Z)-hexadeca-4,7-dienoic acid
CID 138137773
(4Z,8Z,12Z,15Z)-octadeca-4,8,12,15-tetraenoic acid;(9E,12E,15E)-octadeca-9,12,15-trienoic acid
CID 87552029
tert-butyl dodeca-7,10,11-trienoate
CID 175392828
heptadeca-12,16-dienoic acid
CID 91393607
(4E,8E)-dodeca-4,8-dienedioic acid
CID 6537917
(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoic acid
CID 5282848
trideca-9,12-dienoic acid
CID 140680246

Frequently Asked Questions

What is the IUPAC name of icosa-4,8,15,18,19-pentaenoic acid?
The IUPAC name of icosa-4,8,15,18,19-pentaenoic acid (CID 140558625) is icosa-4,8,15,18,19-pentaenoic acid.
What is the SMILES notation for icosa-4,8,15,18,19-pentaenoic acid?
The canonical SMILES for icosa-4,8,15,18,19-pentaenoic acid is C=C=CCC=CCCCCCC=CCCC=CCCC(=O)O.
What is the InChIKey of icosa-4,8,15,18,19-pentaenoic acid?
The InChIKey is AXSQENDTILAOGR-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/h3,5-6,12-13,16-17H,1,4,7-11,14-15,18-19H2,(H,21,22).
What are the key properties of icosa-4,8,15,18,19-pentaenoic acid?
icosa-4,8,15,18,19-pentaenoic acid has a molecular weight of 302.46 g/mol, XLogP of 5.98, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-4,8,15,18,19-pentaenoic acid is sourced from PubChem (CID 140558625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).