icosa-2,11-dienoic acid

C20H36O2 — CID 54537818

IUPACicosa-2,11-dienoic acid
SMILESCCCCCCCCC=CCCCCCCCC=CC(=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/h9-10,18-19H,2-8,11-17H2,1H3,(H,21,22)
InChIKeyZBAPJSIVSIZVNE-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.66
Rot. Bonds16

About icosa-2,11-dienoic acid

icosa-2,11-dienoic acid (PubChem CID 54537818) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is icosa-2,11-dienoic acid.

Molecular Properties

Compound Nameicosa-2,11-dienoic acid
PubChem CID54537818
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Nameicosa-2,11-dienoic acid
SMILESCCCCCCCCC=CCCCCCCCC=CC(=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/h9-10,18-19H,2-8,11-17H2,1H3,(H,21,22)
InChIKeyZBAPJSIVSIZVNE-UHFFFAOYSA-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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 5282713
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(E)-oct-2-enoic acid;zirconium
CID 89456417
tetradec-2-enoic acid;(Z)-tetradec-9-enoic acid
CID 87262111
(2E,6E,10E,14E,18E)-tricosa-2,6,10,14,18-pentaenoic acid
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Frequently Asked Questions

What is the IUPAC name of icosa-2,11-dienoic acid?
The IUPAC name of icosa-2,11-dienoic acid (CID 54537818) is icosa-2,11-dienoic acid.
What is the SMILES notation for icosa-2,11-dienoic acid?
The canonical SMILES for icosa-2,11-dienoic acid is CCCCCCCCC=CCCCCCCCC=CC(=O)O.
What is the InChIKey of icosa-2,11-dienoic acid?
The InChIKey is ZBAPJSIVSIZVNE-UHFFFAOYSA-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/h9-10,18-19H,2-8,11-17H2,1H3,(H,21,22).
What are the key properties of icosa-2,11-dienoic acid?
icosa-2,11-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 icosa-2,11-dienoic acid is sourced from PubChem (CID 54537818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).