18-methylnonadeca-8,11,14-trienoic acid

C20H34O2 — CID 78383919

IUPAC18-methylnonadeca-8,11,14-trienoic acid
SMILESCC(C)CCC=CCC=CCC=CCCCCCCC(=O)O
InChIInChI=1S/C20H34O2/c1-19(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h4-7,11,13,19H,3,8-10,12,14-18H2,1-2H3,(H,21,22)
InChIKeyRKNDDVGTINXHOO-UHFFFAOYSA-N
MW306.49 g/mol
LogP6.30
Rot. Bonds14

About 18-methylnonadeca-8,11,14-trienoic acid

18-methylnonadeca-8,11,14-trienoic acid (PubChem CID 78383919) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is 18-methylnonadeca-8,11,14-trienoic acid.

Molecular Properties

Compound Name18-methylnonadeca-8,11,14-trienoic acid
PubChem CID78383919
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name18-methylnonadeca-8,11,14-trienoic acid
SMILESCC(C)CCC=CCC=CCC=CCCCCCCC(=O)O
InChIInChI=1S/C20H34O2/c1-19(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h4-7,11,13,19H,3,8-10,12,14-18H2,1-2H3,(H,21,22)
InChIKeyRKNDDVGTINXHOO-UHFFFAOYSA-N
XLogP6.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 56.30
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

(9Z,12Z)-16-methylheptadeca-9,12-dienoic acid
CID 5312304
(5Z,8Z)-14-methylpentadeca-5,8-dienoic acid
CID 168749471
(Z)-16-methylheptadec-8-enoic acid
CID 10731639
24-methylpentacos-9-enoic acid
CID 57190789
(7Z,10Z,13Z)-16-methylheptadeca-7,10,13-trienoic acid
CID 168749468
(9Z,12Z)-henicosa-9,12-dienedioic acid
CID 88967017
17-methyloctadeca-5,9-dienoic acid
CID 75955144
octacosa-20,23,26-trienoic acid
CID 169277364
henicosa-13,16,19-trienoic acid
CID 169277363
nonacosa-21,24,27-trienoic acid
CID 169276996
tetradeca-5,8-dienedioic acid
CID 54091580
17-methyloctadeca-6,9,12,15-tetraenoic acid
CID 173274279

Frequently Asked Questions

What is the IUPAC name of 18-methylnonadeca-8,11,14-trienoic acid?
The IUPAC name of 18-methylnonadeca-8,11,14-trienoic acid (CID 78383919) is 18-methylnonadeca-8,11,14-trienoic acid.
What is the SMILES notation for 18-methylnonadeca-8,11,14-trienoic acid?
The canonical SMILES for 18-methylnonadeca-8,11,14-trienoic acid is CC(C)CCC=CCC=CCC=CCCCCCCC(=O)O.
What is the InChIKey of 18-methylnonadeca-8,11,14-trienoic acid?
The InChIKey is RKNDDVGTINXHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O2/c1-19(2)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(21)22/h4-7,11,13,19H,3,8-10,12,14-18H2,1-2H3,(H,21,22).
What are the key properties of 18-methylnonadeca-8,11,14-trienoic acid?
18-methylnonadeca-8,11,14-trienoic acid has a molecular weight of 306.49 g/mol, XLogP of 6.30, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methylnonadeca-8,11,14-trienoic acid is sourced from PubChem (CID 78383919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).