(10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid

C19H34O3 — CID 125480190

IUPAC(10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid
SMILESCCCCC[C@@H](O)/C=C/C=C\CCCCCCCCC(=O)O
InChIInChI=1S/C19H34O3/c1-2-3-12-15-18(20)16-13-10-8-6-4-5-7-9-11-14-17-19(21)22/h8,10,13,16,18,20H,2-7,9,11-12,14-15,17H2,1H3,(H,21,22)/b10-8-,16-13+/t18-/m1/s1
InChIKeyJHFOVTLNYHMZSE-POEMTPSNSA-N
MW310.48 g/mol
LogP5.25
Rot. Bonds15

About (10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid

(10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid (PubChem CID 125480190) has the molecular formula C19H34O3 and a molecular weight of 310.48 g/mol. Its IUPAC name is (10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid.

Molecular Properties

Compound Name(10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid
PubChem CID125480190
Molecular FormulaC19H34O3
Molecular Weight310.48 g/mol
Exact Mass310.25
IUPAC Name(10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid
SMILESCCCCC[C@@H](O)/C=C/C=C\CCCCCCCCC(=O)O
InChIInChI=1S/C19H34O3/c1-2-3-12-15-18(20)16-13-10-8-6-4-5-7-9-11-14-17-19(21)22/h8,10,13,16,18,20H,2-7,9,11-12,14-15,17H2,1H3,(H,21,22)/b10-8-,16-13+/t18-/m1/s1
InChIKeyJHFOVTLNYHMZSE-POEMTPSNSA-N
XLogP5.25
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.48
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(9R,10E)-9-hydroxyoctadeca-10,12-dienoic acid
CID 170924408
(15S)-15-hydroxyicosa-11,13-dienoic acid
CID 6610219
(6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid
CID 124636388
(E,13R)-13-hydroxyoctadec-11-enoic acid
CID 56935869
(Z,16R)-16-hydroxyhenicos-14-enoic acid
CID 11439238
(E,12R)-12-hydroxyheptadec-10-enoic acid
CID 129382398
(5Z,8Z,10E,12S,14Z)-12-hydroxyicosa-5,8,10,14-tetraenoic acid;(5Z,8Z,11Z,13E,15S)-15-hydroxyicosa-5,8,11,13-tetraenoic acid;(9Z,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
CID 160932335
(5Z,8Z,10E,12S)-12-hydroxyicosa-5,8,10-trienoic acid
CID 10087517
(5S)-5-hydroxy-12-oxoicosa-6,8-dienoic acid
CID 3246861
(5S,6Z,8E,10E,12R)-5,12-dihydroxyicosa-6,8,10-trienoic acid
CID 14753472
(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid
CID 5283141
heptacosa-12,14-dienoic acid
CID 172824582

Frequently Asked Questions

What is the IUPAC name of (10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid?
The IUPAC name of (10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid (CID 125480190) is (10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid.
What is the SMILES notation for (10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid?
The canonical SMILES for (10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid is CCCCC[C@@H](O)/C=C/C=C\CCCCCCCCC(=O)O.
What is the InChIKey of (10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid?
The InChIKey is JHFOVTLNYHMZSE-POEMTPSNSA-N. The full InChI is InChI=1S/C19H34O3/c1-2-3-12-15-18(20)16-13-10-8-6-4-5-7-9-11-14-17-19(21)22/h8,10,13,16,18,20H,2-7,9,11-12,14-15,17H2,1H3,(H,21,22)/b10-8-,16-13+/t18-/m1/s1.
What are the key properties of (10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid?
(10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid has a molecular weight of 310.48 g/mol, XLogP of 5.25, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid is sourced from PubChem (CID 125480190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).