5-hydroxyhexadecanoic acid

C16H32O3 — CID 5312761

IUPAC5-hydroxyhexadecanoic acid
SMILESCCCCCCCCCCCC(O)CCCC(=O)O
InChIInChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
InChIKeyGIEJMPHHFWMLHG-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.52
Rot. Bonds14

About 5-hydroxyhexadecanoic acid

5-hydroxyhexadecanoic acid (PubChem CID 5312761) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 5-hydroxyhexadecanoic acid.

Molecular Properties

Compound Name5-hydroxyhexadecanoic acid
PubChem CID5312761
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name5-hydroxyhexadecanoic acid
SMILESCCCCCCCCCCCC(O)CCCC(=O)O
InChIInChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
InChIKeyGIEJMPHHFWMLHG-UHFFFAOYSA-N
XLogP4.52
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-hydroxyhexadecanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxydecanoic acid
CID 161390265
(5S)-5-hydroxydecanoic acid
CID 6604110
13-hydroxyoctadecanoic acid
CID 5282911
14-hydroxypentacosanoic acid
CID 169276940
21-hydroxyheptacosanoic acid
CID 169277079
(9R)-9-hydroxytetradecanoic acid
CID 22822871
hexadecan-7-ol;octadecanoic acid
CID 174589795
9-hydroxyheptadecanoic acid
CID 86012010
11-hydroxydocosanoic acid
CID 86066603
(8S)-8-hydroxytetradecanoic acid
CID 123133458
12-hydroxyheptadecanoic acid
CID 15110021
9-hydroxytriacontanoic acid
CID 169277258

Frequently Asked Questions

What is the IUPAC name of 5-hydroxyhexadecanoic acid?
The IUPAC name of 5-hydroxyhexadecanoic acid (CID 5312761) is 5-hydroxyhexadecanoic acid.
What is the SMILES notation for 5-hydroxyhexadecanoic acid?
The canonical SMILES for 5-hydroxyhexadecanoic acid is CCCCCCCCCCCC(O)CCCC(=O)O.
What is the InChIKey of 5-hydroxyhexadecanoic acid?
The InChIKey is GIEJMPHHFWMLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-12-15(17)13-11-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19).
What are the key properties of 5-hydroxyhexadecanoic acid?
5-hydroxyhexadecanoic acid has a molecular weight of 272.43 g/mol, XLogP of 4.52, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxyhexadecanoic acid is sourced from PubChem (CID 5312761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).