icosa-5,10,14-trienoic acid

C20H34O2 — CID 162425903

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

About icosa-5,10,14-trienoic acid

icosa-5,10,14-trienoic acid (PubChem CID 162425903) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is icosa-5,10,14-trienoic acid.

Molecular Properties

Compound Nameicosa-5,10,14-trienoic acid
PubChem CID162425903
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Nameicosa-5,10,14-trienoic acid
SMILESCCCCCC=CCCC=CCCCC=CCCCC(=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/h6-7,10-11,15-16H,2-5,8-9,12-14,17-19H2,1H3,(H,21,22)
InChIKeyWUUYFCLFZOILTN-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

(5Z,9Z)-heptacosa-5,9-dienoic acid
CID 44567153
(5E,9E)-hexacosa-5,9-dienoic acid
CID 5312573
(5E,9E,23E)-nonacosa-5,9,23-trienoic acid
CID 15613193
(5Z,9Z)-triaconta-5,9-dienoic acid
CID 14753662
(5E,9E)-triaconta-5,9-dienoic acid
CID 14753661
(Z)-tetradec-5-enoic acid
CID 5312400
heptacos-5-enoic acid
CID 169277466
(Z)-tricos-5-enoic acid
CID 170849785
octadeca-5,8,12-trienoic acid
CID 173410931
(6Z,10Z)-octadeca-6,10-dienoic acid
CID 87830087
pentadeca-5,10-dienoic acid
CID 535083
(6E,12Z)-octadeca-6,12-dienoic acid
CID 101251526

Frequently Asked Questions

What is the IUPAC name of icosa-5,10,14-trienoic acid?
The IUPAC name of icosa-5,10,14-trienoic acid (CID 162425903) is icosa-5,10,14-trienoic acid.
What is the SMILES notation for icosa-5,10,14-trienoic acid?
The canonical SMILES for icosa-5,10,14-trienoic acid is CCCCCC=CCCC=CCCCC=CCCCC(=O)O.
What is the InChIKey of icosa-5,10,14-trienoic acid?
The InChIKey is WUUYFCLFZOILTN-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/h6-7,10-11,15-16H,2-5,8-9,12-14,17-19H2,1H3,(H,21,22).
What are the key properties of icosa-5,10,14-trienoic acid?
icosa-5,10,14-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-5,10,14-trienoic acid is sourced from PubChem (CID 162425903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).