4-hydroxyhexadecanoic acid

C16H32O3 — CID 5282904

IUPAC4-hydroxyhexadecanoic acid
SMILESCCCCCCCCCCCCC(O)CCC(=O)O
InChIInChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
InChIKeySPZURESODGZJAL-UHFFFAOYSA-N
MW272.43 g/mol
LogP4.52
Rot. Bonds14

About 4-hydroxyhexadecanoic acid

4-hydroxyhexadecanoic acid (PubChem CID 5282904) has the molecular formula C16H32O3 and a molecular weight of 272.43 g/mol. Its IUPAC name is 4-hydroxyhexadecanoic acid.

Molecular Properties

Compound Name4-hydroxyhexadecanoic acid
PubChem CID5282904
Molecular FormulaC16H32O3
Molecular Weight272.43 g/mol
Exact Mass272.24
IUPAC Name4-hydroxyhexadecanoic acid
SMILESCCCCCCCCCCCCC(O)CCC(=O)O
InChIInChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19)
InChIKeySPZURESODGZJAL-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'}

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Related Compounds

21-hydroxyheptacosanoic acid
CID 169277079
(9R)-9-hydroxytetradecanoic acid
CID 22822871
14-hydroxypentacosanoic acid
CID 169276940
12-hydroxyheptadecanoic acid
CID 15110021
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
5-hydroxyhexadecanoic acid
CID 5312761
pentanoic acid;tetracosan-11-ol
CID 175196801
(7S)-7-hydroxyoctadecanoic acid
CID 162672751

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyhexadecanoic acid?
The IUPAC name of 4-hydroxyhexadecanoic acid (CID 5282904) is 4-hydroxyhexadecanoic acid.
What is the SMILES notation for 4-hydroxyhexadecanoic acid?
The canonical SMILES for 4-hydroxyhexadecanoic acid is CCCCCCCCCCCCC(O)CCC(=O)O.
What is the InChIKey of 4-hydroxyhexadecanoic acid?
The InChIKey is SPZURESODGZJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-15(17)13-14-16(18)19/h15,17H,2-14H2,1H3,(H,18,19).
What are the key properties of 4-hydroxyhexadecanoic acid?
4-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 4-hydroxyhexadecanoic acid is sourced from PubChem (CID 5282904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).