14-hydroxyicos-2-enoic acid

C20H38O3 — CID 54225996

IUPAC14-hydroxyicos-2-enoic acid
SMILESCCCCCCC(O)CCCCCCCCCCC=CC(=O)O
InChIInChI=1S/C20H38O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h15,18-19,21H,2-14,16-17H2,1H3,(H,22,23)
InChIKeyQFWZBELMVMSWMA-UHFFFAOYSA-N
MW326.52 g/mol
LogP5.86
Rot. Bonds17

About 14-hydroxyicos-2-enoic acid

14-hydroxyicos-2-enoic acid (PubChem CID 54225996) has the molecular formula C20H38O3 and a molecular weight of 326.52 g/mol. Its IUPAC name is 14-hydroxyicos-2-enoic acid.

Molecular Properties

Compound Name14-hydroxyicos-2-enoic acid
PubChem CID54225996
Molecular FormulaC20H38O3
Molecular Weight326.52 g/mol
Exact Mass326.28
IUPAC Name14-hydroxyicos-2-enoic acid
SMILESCCCCCCC(O)CCCCCCCCCCC=CC(=O)O
InChIInChI=1S/C20H38O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h15,18-19,21H,2-14,16-17H2,1H3,(H,22,23)
InChIKeyQFWZBELMVMSWMA-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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

11-hydroxypentadec-2-enoic acid
CID 162983544
7,10,13-trihydroxyoctadec-2-enoic acid
CID 146242236
(E)-9,12,13-trihydroxyoctadec-2-enoic acid
CID 87252445
12,13-dihydroxyoctadec-2-enoic acid
CID 71343147
(2E,4E,6E)-15-hydroxyicosa-2,4,6-trienoic acid
CID 6439617
undec-2-enoic acid
CID 519180
10-methylheptadec-2-enoic acid
CID 176885853
7,10,14-trihydroxyoctadec-2-enoic acid
CID 146242425
copper;heptadec-2-enoic acid
CID 174878538
bis(heptadec-2-enoic acid);zinc
CID 172555643
icosa-2,11-dienoic acid
CID 54537818
icosa-2,12-dienoic acid
CID 174301675

Frequently Asked Questions

What is the IUPAC name of 14-hydroxyicos-2-enoic acid?
The IUPAC name of 14-hydroxyicos-2-enoic acid (CID 54225996) is 14-hydroxyicos-2-enoic acid.
What is the SMILES notation for 14-hydroxyicos-2-enoic acid?
The canonical SMILES for 14-hydroxyicos-2-enoic acid is CCCCCCC(O)CCCCCCCCCCC=CC(=O)O.
What is the InChIKey of 14-hydroxyicos-2-enoic acid?
The InChIKey is QFWZBELMVMSWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O3/c1-2-3-4-13-16-19(21)17-14-11-9-7-5-6-8-10-12-15-18-20(22)23/h15,18-19,21H,2-14,16-17H2,1H3,(H,22,23).
What are the key properties of 14-hydroxyicos-2-enoic acid?
14-hydroxyicos-2-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 14-hydroxyicos-2-enoic acid is sourced from PubChem (CID 54225996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).