(11Z,14Z,17Z)-icosa-11,14,17-trienoic acid

C20H34O2 — CID 5312529

IUPAC(11Z,14Z,17Z)-icosa-11,14,17-trienoic acid
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-
InChIKeyAHANXAKGNAKFSK-PDBXOOCHSA-N
MW306.49 g/mol
LogP6.44
Rot. Bonds15

About (11Z,14Z,17Z)-icosa-11,14,17-trienoic acid

(11Z,14Z,17Z)-icosa-11,14,17-trienoic acid (PubChem CID 5312529) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (11Z,14Z,17Z)-icosa-11,14,17-trienoic acid.

Molecular Properties

Compound Name(11Z,14Z,17Z)-icosa-11,14,17-trienoic acid
PubChem CID5312529
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(11Z,14Z,17Z)-icosa-11,14,17-trienoic acid
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=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/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-
InChIKeyAHANXAKGNAKFSK-PDBXOOCHSA-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 (11Z,14Z,17Z)-icosa-11,14,17-trienoic acid?
The IUPAC name of (11Z,14Z,17Z)-icosa-11,14,17-trienoic acid (CID 5312529) is (11Z,14Z,17Z)-icosa-11,14,17-trienoic acid.
What is the SMILES notation for (11Z,14Z,17Z)-icosa-11,14,17-trienoic acid?
The canonical SMILES for (11Z,14Z,17Z)-icosa-11,14,17-trienoic acid is CC/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O.
What is the InChIKey of (11Z,14Z,17Z)-icosa-11,14,17-trienoic acid?
The InChIKey is AHANXAKGNAKFSK-PDBXOOCHSA-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/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-.
What are the key properties of (11Z,14Z,17Z)-icosa-11,14,17-trienoic acid?
(11Z,14Z,17Z)-icosa-11,14,17-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 (11Z,14Z,17Z)-icosa-11,14,17-trienoic acid is sourced from PubChem (CID 5312529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).