(8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid

C19H32O2 — CID 127257850

IUPAC(8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid
SMILESCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O
InChIInChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h5-6,8-9,11-12H,2-4,7,10,13-18H2,1H3,(H,20,21)/b6-5-,9-8-,12-11-
InChIKeyAUUTXYHFDNASDL-AGRJPVHOSA-N
MW292.46 g/mol
LogP6.05
Rot. Bonds14

About (8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid

(8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid (PubChem CID 127257850) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is (8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid.

Molecular Properties

Compound Name(8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid
PubChem CID127257850
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name(8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid
SMILESCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O
InChIInChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h5-6,8-9,11-12H,2-4,7,10,13-18H2,1H3,(H,20,21)/b6-5-,9-8-,12-11-
InChIKeyAUUTXYHFDNASDL-AGRJPVHOSA-N
XLogP6.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 56.05
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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Related Compounds

tetracosa-16,19-dienoic acid
CID 169277269
(10E,13E)-octadeca-10,13-dienoic acid
CID 22457197
(6E,9E,12E,15E)-icosa-6,9,12,15-tetraenoic acid
CID 14746867
tetracosa-9,12,15,18-tetraenoic acid
CID 75955148
(9E,12E)-(113C)octadeca-9,12-dienoic acid
CID 171042521
heptacosa-14,17-dienoic acid
CID 169276989
octacosa-10,13,16-trienoic acid
CID 169277248
(9Z,12Z,15Z)-henicosa-9,12,15-trienoic acid
CID 14647994
(10E,13E)-nonadeca-10,13-dienoic acid
CID 5312516
triaconta-18,21-dienoic acid
CID 169276961
octacosa-15,18-dienoic acid
CID 169277492
(7Z)-docosa-7,10,13,16-tetraenoic acid
CID 87131782

Frequently Asked Questions

What is the IUPAC name of (8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid?
The IUPAC name of (8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid (CID 127257850) is (8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid.
What is the SMILES notation for (8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid?
The canonical SMILES for (8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid is CCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O.
What is the InChIKey of (8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid?
The InChIKey is AUUTXYHFDNASDL-AGRJPVHOSA-N. The full InChI is InChI=1S/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21/h5-6,8-9,11-12H,2-4,7,10,13-18H2,1H3,(H,20,21)/b6-5-,9-8-,12-11-.
What are the key properties of (8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid?
(8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid has a molecular weight of 292.46 g/mol, XLogP of 6.05, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z,11Z,14Z)-nonadeca-8,11,14-trienoic acid is sourced from PubChem (CID 127257850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).