icosa-8,11,14-trien-5-ynoic acid

C20H30O2 — CID 1777

IUPACicosa-8,11,14-trien-5-ynoic acid
SMILESCCCCCC=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/h6-7,9-10,12-13H,2-5,8,11,14,17-19H2,1H3,(H,21,22)
InChIKeyGIOQWSLKUVKKAO-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.66
Rot. Bonds12

About icosa-8,11,14-trien-5-ynoic acid

icosa-8,11,14-trien-5-ynoic acid (PubChem CID 1777) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is icosa-8,11,14-trien-5-ynoic acid.

Molecular Properties

Compound Nameicosa-8,11,14-trien-5-ynoic acid
PubChem CID1777
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Nameicosa-8,11,14-trien-5-ynoic acid
SMILESCCCCCC=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/h6-7,9-10,12-13H,2-5,8,11,14,17-19H2,1H3,(H,21,22)
InChIKeyGIOQWSLKUVKKAO-UHFFFAOYSA-N
XLogP5.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.66
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid
CID 13393083
(6Z)-octadeca-6,9,12-trienoic acid
CID 87131642
hydrogen peroxide;icosa-5,8,11,14-tetraenoic acid
CID 173088002
(5Z,8E,11E,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 122652036
tetracosa-6,9,12,15,18-pentaenoic acid
CID 72731988
(6E,9Z)-pentadeca-6,9-dienoic acid
CID 87445670
(5Z,8Z,11Z,14Z)-(1113C)icosa-5,8,11,14-tetraenoic acid
CID 101342439
hydrogen peroxide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid
CID 87473865
(5E,8E,14E)-icosa-5,8,14-trienoic acid
CID 6439516
octacosa-10,13,16-trienoic acid
CID 169277248
(9Z,12Z,15Z)-henicosa-9,12,15-trienoic acid
CID 14647994
(6Z,9Z,12Z)-octadeca-6,9,12-trienoic acid;hydrate
CID 141267373

Frequently Asked Questions

What is the IUPAC name of icosa-8,11,14-trien-5-ynoic acid?
The IUPAC name of icosa-8,11,14-trien-5-ynoic acid (CID 1777) is icosa-8,11,14-trien-5-ynoic acid.
What is the SMILES notation for icosa-8,11,14-trien-5-ynoic acid?
The canonical SMILES for icosa-8,11,14-trien-5-ynoic acid is CCCCCC=CCC=CCC=CCC#CCCCC(=O)O.
What is the InChIKey of icosa-8,11,14-trien-5-ynoic acid?
The InChIKey is GIOQWSLKUVKKAO-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/h6-7,9-10,12-13H,2-5,8,11,14,17-19H2,1H3,(H,21,22).
What are the key properties of icosa-8,11,14-trien-5-ynoic acid?
icosa-8,11,14-trien-5-ynoic acid has a molecular weight of 302.46 g/mol, XLogP of 5.66, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for icosa-8,11,14-trien-5-ynoic acid is sourced from PubChem (CID 1777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).