(4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid

C16H26O3 — CID 6443898

IUPAC(4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid
SMILESCCCCCC(O)/C=C\C=C/C/C=C/CCC(=O)O
InChIInChI=1S/C16H26O3/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16(18)19/h5-8,10,13,15,17H,2-4,9,11-12,14H2,1H3,(H,18,19)/b7-5-,8-6+,13-10-
InChIKeyYZHSZFKKUWTIQI-ZAMVPFCSSA-N
MW266.38 g/mol
LogP3.85
Rot. Bonds11

About (4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid

(4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid (PubChem CID 6443898) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid.

Molecular Properties

Compound Name(4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid
PubChem CID6443898
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid
SMILESCCCCCC(O)/C=C\C=C/C/C=C/CCC(=O)O
InChIInChI=1S/C16H26O3/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16(18)19/h5-8,10,13,15,17H,2-4,9,11-12,14H2,1H3,(H,18,19)/b7-5-,8-6+,13-10-
InChIKeyYZHSZFKKUWTIQI-ZAMVPFCSSA-N
XLogP3.85
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid with MolForge

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Related Compounds

17-hydroxydocosa-4,7,10,13,15-pentaenoic acid
CID 73026130
(5Z,8E,10E,12S)-12-hydroxyheptadeca-5,8,10-trienoic acid
CID 5283141
(5Z,8Z,10E,12S)-12-hydroxyicosa-5,8,10-trienoic acid
CID 10087517
(5R,6E,8Z,11Z,14Z)-5-hydroxyicosa-6,8,11,14-tetraenoic acid
CID 5283165
7-hydroxydocosa-4,8,10,13,16-pentaenoic acid
CID 73021200
(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
(4Z,8E,10Z,13Z,15E)-7-hydroxy-17-(hydroxymethyl)docosa-4,8,10,13,15-pentaenoic acid
CID 170058257
(6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid
CID 124636388
(6Z,9Z,11E)-13-hydroxyoctadeca-6,9,11-trienoate
CID 59755726
methyl (5Z,8Z,11Z,13E)-15-hydroxyicosa-5,8,11,13-tetraenoate
CID 13213512
(9R,10E,12E,15Z)-9-hydroxyoctadeca-10,12,15-trienoic acid
CID 124934195
(15S)-15-hydroxyicosa-11,13-dienoic acid
CID 6610219

Frequently Asked Questions

What is the IUPAC name of (4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid?
The IUPAC name of (4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid (CID 6443898) is (4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid.
What is the SMILES notation for (4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid?
The canonical SMILES for (4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid is CCCCCC(O)/C=C\C=C/C/C=C/CCC(=O)O.
What is the InChIKey of (4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid?
The InChIKey is YZHSZFKKUWTIQI-ZAMVPFCSSA-N. The full InChI is InChI=1S/C16H26O3/c1-2-3-9-12-15(17)13-10-7-5-4-6-8-11-14-16(18)19/h5-8,10,13,15,17H,2-4,9,11-12,14H2,1H3,(H,18,19)/b7-5-,8-6+,13-10-.
What are the key properties of (4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid?
(4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid has a molecular weight of 266.38 g/mol, XLogP of 3.85, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,7Z,9Z)-11-hydroxyhexadeca-4,7,9-trienoic acid is sourced from PubChem (CID 6443898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).