(11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid

C20H28O2 — CID 13393083

IUPAC(11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid
SMILESCCCCC/C=C\C/C=C\CC#CCC#CCCCC(=O)O
InChIInChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-
InChIKeyBSOWKNMCMBLAQM-HZJYTTRNSA-N
MW300.44 g/mol
LogP5.11
Rot. Bonds10

About (11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid

(11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid (PubChem CID 13393083) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is (11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid.

Molecular Properties

Compound Name(11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid
PubChem CID13393083
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name(11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid
SMILESCCCCC/C=C\C/C=C\CC#CCC#CCCCC(=O)O
InChIInChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-
InChIKeyBSOWKNMCMBLAQM-HZJYTTRNSA-N
XLogP5.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.44
LogP ≤ 55.11
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 (11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

icosa-8,11,14-trien-5-ynoic acid
CID 1777
(6E,9Z)-pentadeca-6,9-dienoic acid
CID 87445670
(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
icosa-5,11,14-triynoic acid
CID 3082413
(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
hexacosa-9,12-dienoic acid
CID 169276991

Frequently Asked Questions

What is the IUPAC name of (11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid?
The IUPAC name of (11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid (CID 13393083) is (11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid.
What is the SMILES notation for (11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid?
The canonical SMILES for (11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid is CCCCC/C=C\C/C=C\CC#CCC#CCCCC(=O)O.
What is the InChIKey of (11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid?
The InChIKey is BSOWKNMCMBLAQM-HZJYTTRNSA-N. The full InChI is InChI=1S/C20H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-.
What are the key properties of (11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid?
(11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid has a molecular weight of 300.44 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11Z,14Z)-icosa-11,14-dien-5,8-diynoic acid is sourced from PubChem (CID 13393083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).