12-hydroxyicos-14-enoic acid

C20H38O3 — CID 169277255

IUPAC12-hydroxyicos-14-enoic acid
SMILESCCCCCC=CCC(O)CCCCCCCCCCC(=O)O
InChIInChI=1S/C20H38O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h10,13,19,21H,2-9,11-12,14-18H2,1H3,(H,22,23)
InChIKeyOHQAYDHHLKWQGS-UHFFFAOYSA-N
MW326.52 g/mol
LogP5.86
Rot. Bonds17

About 12-hydroxyicos-14-enoic acid

12-hydroxyicos-14-enoic acid (PubChem CID 169277255) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 12-hydroxyicos-14-enoic acid.

Molecular Properties

Compound Name12-hydroxyicos-14-enoic acid
PubChem CID169277255
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name12-hydroxyicos-14-enoic acid
SMILESCCCCCC=CCC(O)CCCCCCCCCCC(=O)O
InChIInChI=1S/C20H38O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h10,13,19,21H,2-9,11-12,14-18H2,1H3,(H,22,23)
InChIKeyOHQAYDHHLKWQGS-UHFFFAOYSA-N
XLogP5.86
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.52
LogP ≤ 55.86
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

(Z)-12-hydroxyoctadec-9-enoic acid
CID 5282942
12-hydroxyhenicos-14-enoic acid
CID 169277303
(Z)-7-hydroxyoctadec-9-enoic acid
CID 101326222
(Z,12R)-12-hydroxyoctadec-9-enoic acid;silver
CID 174840171
CID 131874957
CID 131874957
CID 175884069
CID 175884069
10-hydroxytricosa-12,15-dienoic acid
CID 169277481
2-hydroxyacetic acid;bis((Z)-12-hydroxyoctadec-9-enoic acid);titanium
CID 6437456
15-hydroxynonacosa-17,20-dienoic acid
CID 169277174
16-hydroxytriaconta-18,21-dienoic acid
CID 169276960
17-hydroxytriaconta-19,22-dienoic acid
CID 169277268
10-hydroxytetracosa-12,15-dienoic acid
CID 169276974

Frequently Asked Questions

What is the IUPAC name of 12-hydroxyicos-14-enoic acid?
The IUPAC name of 12-hydroxyicos-14-enoic acid (CID 169277255) is 12-hydroxyicos-14-enoic acid.
What is the SMILES notation for 12-hydroxyicos-14-enoic acid?
The canonical SMILES for 12-hydroxyicos-14-enoic acid is CCCCCC=CCC(O)CCCCCCCCCCC(=O)O.
What is the InChIKey of 12-hydroxyicos-14-enoic acid?
The InChIKey is OHQAYDHHLKWQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h10,13,19,21H,2-9,11-12,14-18H2,1H3,(H,22,23).
What are the key properties of 12-hydroxyicos-14-enoic acid?
12-hydroxyicos-14-enoic acid has a molecular weight of 326.52 g/mol, XLogP of 5.86, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxyicos-14-enoic acid is sourced from PubChem (CID 169277255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).