12-hydroxyheptadecanoic acid

C17H34O3 — CID 15110021

IUPAC12-hydroxyheptadecanoic acid
SMILESCCCCCC(O)CCCCCCCCCCC(=O)O
InChIInChI=1S/C17H34O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h16,18H,2-15H2,1H3,(H,19,20)
InChIKeyUGNYDWLENCPIBP-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.91
Rot. Bonds15

About 12-hydroxyheptadecanoic acid

12-hydroxyheptadecanoic acid (PubChem CID 15110021) has the molecular formula C17H34O3 and a molecular weight of 286.46 g/mol. Its IUPAC name is 12-hydroxyheptadecanoic acid.

Molecular Properties

Compound Name12-hydroxyheptadecanoic acid
PubChem CID15110021
Molecular FormulaC17H34O3
Molecular Weight286.46 g/mol
Exact Mass286.25
IUPAC Name12-hydroxyheptadecanoic acid
SMILESCCCCCC(O)CCCCCCCCCCC(=O)O
InChIInChI=1S/C17H34O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h16,18H,2-15H2,1H3,(H,19,20)
InChIKeyUGNYDWLENCPIBP-UHFFFAOYSA-N
XLogP4.91
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

21-hydroxyheptacosanoic acid
CID 169277079
(9R)-9-hydroxytetradecanoic acid
CID 22822871
14-hydroxypentacosanoic acid
CID 169276940
9-hydroxytriacontanoic acid
CID 169277258
hexadecan-7-ol;octadecanoic acid
CID 174589795
9-hydroxyheptadecanoic acid
CID 86012010
11-hydroxydocosanoic acid
CID 86066603
(8S)-8-hydroxytetradecanoic acid
CID 123133458
(7S)-7-hydroxyoctadecanoic acid
CID 162672751
12-hydroxyheptacosanoic acid
CID 169276954
20-hydroxyoctacosanoic acid
CID 169277392
20-hydroxyheptacosanoic acid
CID 169277503

Frequently Asked Questions

What is the IUPAC name of 12-hydroxyheptadecanoic acid?
The IUPAC name of 12-hydroxyheptadecanoic acid (CID 15110021) is 12-hydroxyheptadecanoic acid.
What is the SMILES notation for 12-hydroxyheptadecanoic acid?
The canonical SMILES for 12-hydroxyheptadecanoic acid is CCCCCC(O)CCCCCCCCCCC(=O)O.
What is the InChIKey of 12-hydroxyheptadecanoic acid?
The InChIKey is UGNYDWLENCPIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34O3/c1-2-3-10-13-16(18)14-11-8-6-4-5-7-9-12-15-17(19)20/h16,18H,2-15H2,1H3,(H,19,20).
What are the key properties of 12-hydroxyheptadecanoic acid?
12-hydroxyheptadecanoic acid has a molecular weight of 286.46 g/mol, XLogP of 4.91, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 12-hydroxyheptadecanoic acid is sourced from PubChem (CID 15110021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).