(5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid

C16H26O3 — CID 20579712

IUPAC(5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid
SMILESCC(O)/C=C/C=C/CCCC/C=C/CCCC(=O)O
InChIInChI=1S/C16H26O3/c1-15(17)13-11-9-7-5-3-2-4-6-8-10-12-14-16(18)19/h6-9,11,13,15,17H,2-5,10,12,14H2,1H3,(H,18,19)/b8-6+,9-7+,13-11+
InChIKeyZPMISZRGUYLTKY-UGPPIYERSA-N
MW266.38 g/mol
LogP3.85
Rot. Bonds11

About (5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid

(5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid (PubChem CID 20579712) has the molecular formula C16H26O3 and a molecular weight of 266.38 g/mol. Its IUPAC name is (5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid.

Molecular Properties

Compound Name(5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid
PubChem CID20579712
Molecular FormulaC16H26O3
Molecular Weight266.38 g/mol
Exact Mass266.19
IUPAC Name(5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid
SMILESCC(O)/C=C/C=C/CCCC/C=C/CCCC(=O)O
InChIInChI=1S/C16H26O3/c1-15(17)13-11-9-7-5-3-2-4-6-8-10-12-14-16(18)19/h6-9,11,13,15,17H,2-5,10,12,14H2,1H3,(H,18,19)/b8-6+,9-7+,13-11+
InChIKeyZPMISZRGUYLTKY-UGPPIYERSA-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'}

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Related Compounds

(9Z,11E,13S)-13-hydroxytetradeca-9,11-dienoic acid
CID 12988295
(Z)-7-[(2Z,4E)-6-hydroxyhepta-2,4-dienyl]sulfanylhept-5-enoic acid
CID 59977211
(E)-7-[2-[(2E,4E)-6-hydroxyhepta-2,4-dienyl]cyclopropyl]hept-5-enoic acid
CID 20579782
(2E,4E,9E,11E,13S)-13-hydroxytetradeca-2,4,9,11-tetraenoic acid
CID 12988297
(5E,9E)-15-methylhexadeca-5,9-dienoic acid
CID 20847618
(6E,9R,10E,12E)-9-hydroxyoctadeca-6,10,12-trienoic acid
CID 163195148
(5E,8E,12E,14E)-11-hydroxyicosa-5,8,12,14-tetraenoic acid
CID 5353268
8-methylnon-5-enoic acid
CID 73188771
17-methyloctadeca-5,9-dienoic acid
CID 75955144
(5Z,9Z,19Z,21Z)-octacosa-5,9,19,21-tetraenoic acid
CID 100915751
(6E,8Z,10S)-10-hydroxypentadeca-6,8-dienoic acid
CID 124636388
(5E,7Z)-hexadeca-5,7-dienoic acid
CID 87408185

Frequently Asked Questions

What is the IUPAC name of (5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid?
The IUPAC name of (5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid (CID 20579712) is (5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid.
What is the SMILES notation for (5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid?
The canonical SMILES for (5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid is CC(O)/C=C/C=C/CCCC/C=C/CCCC(=O)O.
What is the InChIKey of (5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid?
The InChIKey is ZPMISZRGUYLTKY-UGPPIYERSA-N. The full InChI is InChI=1S/C16H26O3/c1-15(17)13-11-9-7-5-3-2-4-6-8-10-12-14-16(18)19/h6-9,11,13,15,17H,2-5,10,12,14H2,1H3,(H,18,19)/b8-6+,9-7+,13-11+.
What are the key properties of (5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid?
(5E,11E,13E)-15-hydroxyhexadeca-5,11,13-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 (5E,11E,13E)-15-hydroxyhexadeca-5,11,13-trienoic acid is sourced from PubChem (CID 20579712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).