(5Z,8Z,11Z)-icosa-5,8,11-trienoic acid

C20H34O2 — CID 5312531

IUPAC(5Z,8Z,11Z)-icosa-5,8,11-trienoic acid
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,12-13,15-16H,2-8,11,14,17-19H2,1H3,(H,21,22)/b10-9-,13-12-,16-15-
InChIKeyUNSRRHDPHVZAHH-YOILPLPUSA-N
MW306.49 g/mol
LogP6.44
Rot. Bonds15

About (5Z,8Z,11Z)-icosa-5,8,11-trienoic acid

(5Z,8Z,11Z)-icosa-5,8,11-trienoic acid (PubChem CID 5312531) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (5Z,8Z,11Z)-icosa-5,8,11-trienoic acid.

Molecular Properties

Compound Name(5Z,8Z,11Z)-icosa-5,8,11-trienoic acid
PubChem CID5312531
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(5Z,8Z,11Z)-icosa-5,8,11-trienoic acid
SMILESCCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,12-13,15-16H,2-8,11,14,17-19H2,1H3,(H,21,22)/b10-9-,13-12-,16-15-
InChIKeyUNSRRHDPHVZAHH-YOILPLPUSA-N
XLogP6.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.44
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 (5Z,8Z,11Z)-icosa-5,8,11-trienoic acid?
The IUPAC name of (5Z,8Z,11Z)-icosa-5,8,11-trienoic acid (CID 5312531) is (5Z,8Z,11Z)-icosa-5,8,11-trienoic acid.
What is the SMILES notation for (5Z,8Z,11Z)-icosa-5,8,11-trienoic acid?
The canonical SMILES for (5Z,8Z,11Z)-icosa-5,8,11-trienoic acid is CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O.
What is the InChIKey of (5Z,8Z,11Z)-icosa-5,8,11-trienoic acid?
The InChIKey is UNSRRHDPHVZAHH-YOILPLPUSA-N. The full InChI is InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10,12-13,15-16H,2-8,11,14,17-19H2,1H3,(H,21,22)/b10-9-,13-12-,16-15-.
What are the key properties of (5Z,8Z,11Z)-icosa-5,8,11-trienoic acid?
(5Z,8Z,11Z)-icosa-5,8,11-trienoic acid has a molecular weight of 306.49 g/mol, XLogP of 6.44, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,8Z,11Z)-icosa-5,8,11-trienoic acid is sourced from PubChem (CID 5312531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).