icosa-8,10,14-trienoic acid

C20H34O2 — CID 162425913

IUPACicosa-8,10,14-trienoic acid
SMILESCCCCCC=CCCC=CC=CCCCCCCC(=O)O
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,10-13H,2-5,8-9,14-19H2,1H3,(H,21,22)
InChIKeyOYJUBIPLNXCALS-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.44
Rot. Bonds15

About icosa-8,10,14-trienoic acid

icosa-8,10,14-trienoic acid (PubChem CID 162425913) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is icosa-8,10,14-trienoic acid.

Molecular Properties

Compound Nameicosa-8,10,14-trienoic acid
PubChem CID162425913
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Nameicosa-8,10,14-trienoic acid
SMILESCCCCCC=CCCC=CC=CCCCCCCC(=O)O
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,10-13H,2-5,8-9,14-19H2,1H3,(H,21,22)
InChIKeyOYJUBIPLNXCALS-UHFFFAOYSA-N
XLogP6.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.44
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(5Z,9Z,19Z,21Z)-octacosa-5,9,19,21-tetraenoic acid
CID 100915751
(7Z,9E)-octadeca-7,9-dienoic acid
CID 10214758
(10E,12E)-octadeca-10,12-dienoic acid
CID 5282801
(9E,11Z)-henicosa-9,11-dienoic acid
CID 102012523
heptacosa-12,14-dienoic acid
CID 172824582
copper;(Z)-docos-13-enoic acid
CID 174615859
(6Z,10Z)-octadeca-6,10-dienoic acid
CID 87830087
pentadeca-5,7-dienoic acid
CID 123590047
(5E,7Z)-hexadeca-5,7-dienoic acid
CID 87408185
(5E,7E)-docosa-5,7-dienoic acid
CID 118460642
copper;iron;(Z)-octadec-9-enoic acid
CID 174924347
decanoic acid;(Z)-octadec-9-enoic acid;octanoic acid
CID 160959811

Frequently Asked Questions

What is the IUPAC name of icosa-8,10,14-trienoic acid?
The IUPAC name of icosa-8,10,14-trienoic acid (CID 162425913) is icosa-8,10,14-trienoic acid.
What is the SMILES notation for icosa-8,10,14-trienoic acid?
The canonical SMILES for icosa-8,10,14-trienoic acid is CCCCCC=CCCC=CC=CCCCCCCC(=O)O.
What is the InChIKey of icosa-8,10,14-trienoic acid?
The InChIKey is OYJUBIPLNXCALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,10-13H,2-5,8-9,14-19H2,1H3,(H,21,22).
What are the key properties of icosa-8,10,14-trienoic acid?
icosa-8,10,14-trienoic acid has a molecular weight of 306.49 g/mol, XLogP of 6.44, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-8,10,14-trienoic acid is sourced from PubChem (CID 162425913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).