(6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid

C15H26O3 — CID 124636388

IUPAC(6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid
SMILESCCCCC[C@H](O)/C=C\C=C\CCCCC(=O)O
InChIInChI=1S/C15H26O3/c1-2-3-8-11-14(16)12-9-6-4-5-7-10-13-15(17)18/h4,6,9,12,14,16H,2-3,5,7-8,10-11,13H2,1H3,(H,17,18)/b6-4+,12-9-/t14-/m0/s1
InChIKeyYMUBHSXLIUZNHH-NXDVOLAESA-N
MW254.37 g/mol
LogP3.68
Rot. Bonds11

About (6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid

(6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid (PubChem CID 124636388) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is (6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid.

Molecular Properties

Compound Name(6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid
PubChem CID124636388
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name(6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid
SMILESCCCCC[C@H](O)/C=C\C=C\CCCCC(=O)O
InChIInChI=1S/C15H26O3/c1-2-3-8-11-14(16)12-9-6-4-5-7-10-13-15(17)18/h4,6,9,12,14,16H,2-3,5,7-8,10-11,13H2,1H3,(H,17,18)/b6-4+,12-9-/t14-/m0/s1
InChIKeyYMUBHSXLIUZNHH-NXDVOLAESA-N
XLogP3.68
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.68
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'}

Analyze (6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid with MolForge

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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
(10Z,12E,14R)-14-hydroxynonadeca-10,12-dienoic acid
CID 125480190
(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
(5R,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 5283165
(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid
CID 5283141
(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
(6E,9R,10E,12E)-9-hydroxyoctadeca-6,10,12-trienoic acid
CID 163195148
(5Z,8Z,10E,12S)-12-hydroxyicosa-5,8,10-trienoic acid
CID 10087517
(5S)-5-hydroxy-12-oxoicosa-6,8-dienoic acid
CID 3246861

Frequently Asked Questions

What is the IUPAC name of (6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid?
The IUPAC name of (6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid (CID 124636388) is (6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid.
What is the SMILES notation for (6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid?
The canonical SMILES for (6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid is CCCCC[C@H](O)/C=C\C=C\CCCCC(=O)O.
What is the InChIKey of (6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid?
The InChIKey is YMUBHSXLIUZNHH-NXDVOLAESA-N. The full InChI is InChI=1S/C15H26O3/c1-2-3-8-11-14(16)12-9-6-4-5-7-10-13-15(17)18/h4,6,9,12,14,16H,2-3,5,7-8,10-11,13H2,1H3,(H,17,18)/b6-4+,12-9-/t14-/m0/s1.
What are the key properties of (6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid?
(6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid has a molecular weight of 254.37 g/mol, XLogP of 3.68, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid is sourced from PubChem (CID 124636388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).