17-hydroxydocos-19-enoic acid

C22H42O3 — CID 169277016

IUPAC17-hydroxydocos-19-enoic acid
SMILESCCC=CCC(O)CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H42O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,15,21,23H,2,4-14,16-20H2,1H3,(H,24,25)
InChIKeyGFKBXWMTKAVUOD-UHFFFAOYSA-N
MW354.58 g/mol
LogP6.64
Rot. Bonds19

About 17-hydroxydocos-19-enoic acid

17-hydroxydocos-19-enoic acid (PubChem CID 169277016) has the molecular formula C22H42O3 and a molecular weight of 354.58 g/mol. Its IUPAC name is 17-hydroxydocos-19-enoic acid.

Molecular Properties

Compound Name17-hydroxydocos-19-enoic acid
PubChem CID169277016
Molecular FormulaC22H42O3
Molecular Weight354.58 g/mol
Exact Mass354.31
IUPAC Name17-hydroxydocos-19-enoic acid
SMILESCCC=CCC(O)CCCCCCCCCCCCCCCC(=O)O
InChIInChI=1S/C22H42O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,15,21,23H,2,4-14,16-20H2,1H3,(H,24,25)
InChIKeyGFKBXWMTKAVUOD-UHFFFAOYSA-N
XLogP6.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.58
LogP ≤ 56.64
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'}

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Related Compounds

12-hydroxyheptadec-14-enoic acid
CID 169277009
11-hydroxyheptadec-13-enoic acid
CID 169277331
19-hydroxytricos-21-enoic acid
CID 169277159
(12R,31R)-12,31-dihydroxydotetraconta-9,33-dienedioic acid
CID 54536675
(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
12-hydroxyicos-14-enoic acid
CID 169277255
12-hydroxyhenicos-14-enoic acid
CID 169277303
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
22-hydroxynonacosa-24,27-dienoic acid
CID 169277076
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
CID 174840171
CID 131874957
CID 131874957
(7S,9S,10S,12Z,15Z)-7,9,10-trihydroxyoctadeca-12,15-dienoic acid
CID 125416249

Frequently Asked Questions

What is the IUPAC name of 17-hydroxydocos-19-enoic acid?
The IUPAC name of 17-hydroxydocos-19-enoic acid (CID 169277016) is 17-hydroxydocos-19-enoic acid.
What is the SMILES notation for 17-hydroxydocos-19-enoic acid?
The canonical SMILES for 17-hydroxydocos-19-enoic acid is CCC=CCC(O)CCCCCCCCCCCCCCCC(=O)O.
What is the InChIKey of 17-hydroxydocos-19-enoic acid?
The InChIKey is GFKBXWMTKAVUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,15,21,23H,2,4-14,16-20H2,1H3,(H,24,25).
What are the key properties of 17-hydroxydocos-19-enoic acid?
17-hydroxydocos-19-enoic acid has a molecular weight of 354.58 g/mol, XLogP of 6.64, 19 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 17-hydroxydocos-19-enoic acid is sourced from PubChem (CID 169277016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).