icosa-4,10,14-trienoic acid

C20H34O2 — CID 162425838

IUPACicosa-4,10,14-trienoic acid
SMILESCCCCCC=CCCC=CCCCCC=CCCC(=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/h6-7,10-11,16-17H,2-5,8-9,12-15,18-19H2,1H3,(H,21,22)
InChIKeyHVQOYFVKCUVNAL-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.44
Rot. Bonds15

About icosa-4,10,14-trienoic acid

icosa-4,10,14-trienoic acid (PubChem CID 162425838) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is icosa-4,10,14-trienoic acid.

Molecular Properties

Compound Nameicosa-4,10,14-trienoic acid
PubChem CID162425838
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Nameicosa-4,10,14-trienoic acid
SMILESCCCCCC=CCCC=CCCCCC=CCCC(=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/h6-7,10-11,16-17H,2-5,8-9,12-15,18-19H2,1H3,(H,21,22)
InChIKeyHVQOYFVKCUVNAL-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'}

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Related Compounds

heptadec-4-enoic acid
CID 56621766
(Z)-tetradec-4-enoic acid
CID 5312399
docos-4-enoic acid
CID 56621449
nonadec-4-enoic acid
CID 56637756
bis(undec-4-enoic acid);zinc
CID 172555666
docosa-4,8,10,12,16-pentaenoic acid
CID 91288840
(4E,7E,10E,13E,16Z)-docosa-4,7,10,13,16-pentaenoic acid
CID 122652087
(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoic acid
CID 5282848
(4Z,7Z,10Z,13Z,16Z,19Z,22Z)-octacosa-4,7,10,13,16,19,22-heptaenoic acid
CID 14647893
(4E,7Z,10Z,13Z,16E)-docosa-4,7,10,13,16-pentaenoic acid
CID 122651983
(4E,9Z,12E)-octadeca-4,9,12-trienoic acid
CID 125183201
(4E,7Z)-hexadeca-4,7-dienoic acid
CID 138137773

Frequently Asked Questions

What is the IUPAC name of icosa-4,10,14-trienoic acid?
The IUPAC name of icosa-4,10,14-trienoic acid (CID 162425838) is icosa-4,10,14-trienoic acid.
What is the SMILES notation for icosa-4,10,14-trienoic acid?
The canonical SMILES for icosa-4,10,14-trienoic acid is CCCCCC=CCCC=CCCCCC=CCCC(=O)O.
What is the InChIKey of icosa-4,10,14-trienoic acid?
The InChIKey is HVQOYFVKCUVNAL-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/h6-7,10-11,16-17H,2-5,8-9,12-15,18-19H2,1H3,(H,21,22).
What are the key properties of icosa-4,10,14-trienoic acid?
icosa-4,10,14-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-4,10,14-trienoic acid is sourced from PubChem (CID 162425838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).