(11Z,14Z)-icosa-11,14-dienoic acid

C20H36O2 — CID 6439848

IUPAC(11Z,14Z)-icosa-11,14-dienoic acid
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O
InChIInChI=1S/C20H36O2/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,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-
InChIKeyXSXIVVZCUAHUJO-HZJYTTRNSA-N
MW308.51 g/mol
LogP6.66
Rot. Bonds16

About (11Z,14Z)-icosa-11,14-dienoic acid

(11Z,14Z)-icosa-11,14-dienoic acid (PubChem CID 6439848) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is (11Z,14Z)-icosa-11,14-dienoic acid.

Molecular Properties

Compound Name(11Z,14Z)-icosa-11,14-dienoic acid
PubChem CID6439848
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Name(11Z,14Z)-icosa-11,14-dienoic acid
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O
InChIInChI=1S/C20H36O2/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,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-
InChIKeyXSXIVVZCUAHUJO-HZJYTTRNSA-N
XLogP6.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.66
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'}

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Frequently Asked Questions

What is the IUPAC name of (11Z,14Z)-icosa-11,14-dienoic acid?
The IUPAC name of (11Z,14Z)-icosa-11,14-dienoic acid (CID 6439848) is (11Z,14Z)-icosa-11,14-dienoic acid.
What is the SMILES notation for (11Z,14Z)-icosa-11,14-dienoic acid?
The canonical SMILES for (11Z,14Z)-icosa-11,14-dienoic acid is CCCCC/C=C\C/C=C\CCCCCCCCCC(=O)O.
What is the InChIKey of (11Z,14Z)-icosa-11,14-dienoic acid?
The InChIKey is XSXIVVZCUAHUJO-HZJYTTRNSA-N. The full InChI is InChI=1S/C20H36O2/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,2-5,8,11-19H2,1H3,(H,21,22)/b7-6-,10-9-.
What are the key properties of (11Z,14Z)-icosa-11,14-dienoic acid?
(11Z,14Z)-icosa-11,14-dienoic acid has a molecular weight of 308.51 g/mol, XLogP of 6.66, 16 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-dienoic acid is sourced from PubChem (CID 6439848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).