11-hydroxyheptadec-13-enoic acid

C17H32O3 — CID 169277331

IUPAC11-hydroxyheptadec-13-enoic acid
SMILESCCCC=CCC(O)CCCCCCCCCC(=O)O
InChIInChI=1S/C17H32O3/c1-2-3-4-10-13-16(18)14-11-8-6-5-7-9-12-15-17(19)20/h4,10,16,18H,2-3,5-9,11-15H2,1H3,(H,19,20)
InChIKeyOGSWTBRNTHNQHM-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.69
Rot. Bonds14

About 11-hydroxyheptadec-13-enoic acid

11-hydroxyheptadec-13-enoic acid (PubChem CID 169277331) has the molecular formula C17H32O3 and a molecular weight of 284.44 g/mol. Its IUPAC name is 11-hydroxyheptadec-13-enoic acid.

Molecular Properties

Compound Name11-hydroxyheptadec-13-enoic acid
PubChem CID169277331
Molecular FormulaC17H32O3
Molecular Weight284.44 g/mol
Exact Mass284.24
IUPAC Name11-hydroxyheptadec-13-enoic acid
SMILESCCCC=CCC(O)CCCCCCCCCC(=O)O
InChIInChI=1S/C17H32O3/c1-2-3-4-10-13-16(18)14-11-8-6-5-7-9-12-15-17(19)20/h4,10,16,18H,2-3,5-9,11-15H2,1H3,(H,19,20)
InChIKeyOGSWTBRNTHNQHM-UHFFFAOYSA-N
XLogP4.69
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.69
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-hydroxyicos-14-enoic acid
CID 169277255
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
(E)-8-hydroxyicos-5-enoic acid
CID 14748256
(12R,31R)-12,31-dihydroxydotetraconta-9,33-dienedioic acid
CID 54536675
CID 175884069
CID 175884069
(Z,12R)-12-hydroxyoctadec-9-enoic acid;prop-2-enoic acid
CID 175741411
7-hydroxytridec-4-enoic acid
CID 162699563
17-hydroxytriaconta-19,22-dienoic acid
CID 169277268

Frequently Asked Questions

What is the IUPAC name of 11-hydroxyheptadec-13-enoic acid?
The IUPAC name of 11-hydroxyheptadec-13-enoic acid (CID 169277331) is 11-hydroxyheptadec-13-enoic acid.
What is the SMILES notation for 11-hydroxyheptadec-13-enoic acid?
The canonical SMILES for 11-hydroxyheptadec-13-enoic acid is CCCC=CCC(O)CCCCCCCCCC(=O)O.
What is the InChIKey of 11-hydroxyheptadec-13-enoic acid?
The InChIKey is OGSWTBRNTHNQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32O3/c1-2-3-4-10-13-16(18)14-11-8-6-5-7-9-12-15-17(19)20/h4,10,16,18H,2-3,5-9,11-15H2,1H3,(H,19,20).
What are the key properties of 11-hydroxyheptadec-13-enoic acid?
11-hydroxyheptadec-13-enoic acid has a molecular weight of 284.44 g/mol, XLogP of 4.69, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-hydroxyheptadec-13-enoic acid is sourced from PubChem (CID 169277331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).