(8Z,11Z,14Z)-icosa-8,11,14-trien-3-ynoic acid

C20H30O2 — CID 88834947

IUPAC(8Z,11Z,14Z)-icosa-8,11,14-trien-3-ynoic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCC#CCC(=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,2-5,8,11,14-16,19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
InChIKeyBELQOWGWUUEKMC-QNEBEIHSSA-N
MW302.46 g/mol
LogP5.66
Rot. Bonds12

About (8Z,11Z,14Z)-icosa-8,11,14-trien-3-ynoic acid

(8Z,11Z,14Z)-icosa-8,11,14-trien-3-ynoic acid (PubChem CID 88834947) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is (8Z,11Z,14Z)-icosa-8,11,14-trien-3-ynoic acid.

Molecular Properties

Compound Name(8Z,11Z,14Z)-icosa-8,11,14-trien-3-ynoic acid
PubChem CID88834947
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name(8Z,11Z,14Z)-icosa-8,11,14-trien-3-ynoic acid
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCC#CCC(=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,2-5,8,11,14-16,19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
InChIKeyBELQOWGWUUEKMC-QNEBEIHSSA-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'}

Analyze (8Z,11Z,14Z)-icosa-8,11,14-trien-3-ynoic acid with MolForge

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Related Compounds

icosa-8,11,14-trien-5-ynoic acid
CID 1777
(11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid
CID 13393083
(6E,9Z)-pentadeca-6,9-dienoic acid
CID 87445670
(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
(6Z)-octadeca-6,9,12-trienoic acid
CID 87131642
(4Z,7Z,10Z,13Z,16Z,19Z,22Z)-octacosa-4,7,10,13,16,19,22-heptaenoic acid
CID 14647893
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
(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

Frequently Asked Questions

What is the IUPAC name of (8Z,11Z,14Z)-icosa-8,11,14-trien-3-ynoic acid?
The IUPAC name of (8Z,11Z,14Z)-icosa-8,11,14-trien-3-ynoic acid (CID 88834947) is (8Z,11Z,14Z)-icosa-8,11,14-trien-3-ynoic acid.
What is the SMILES notation for (8Z,11Z,14Z)-icosa-8,11,14-trien-3-ynoic acid?
The canonical SMILES for (8Z,11Z,14Z)-icosa-8,11,14-trien-3-ynoic acid is CCCCC/C=C\C/C=C\C/C=C\CCCC#CCC(=O)O.
What is the InChIKey of (8Z,11Z,14Z)-icosa-8,11,14-trien-3-ynoic acid?
The InChIKey is BELQOWGWUUEKMC-QNEBEIHSSA-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,2-5,8,11,14-16,19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-.
What are the key properties of (8Z,11Z,14Z)-icosa-8,11,14-trien-3-ynoic acid?
(8Z,11Z,14Z)-icosa-8,11,14-trien-3-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 (8Z,11Z,14Z)-icosa-8,11,14-trien-3-ynoic acid is sourced from PubChem (CID 88834947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).