2-hydroxytetradecanoic acid

C14H28O3 — CID 1563

IUPAC2-hydroxytetradecanoic acid
SMILESCCCCCCCCCCCCC(O)C(=O)O
InChIInChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
InChIKeyJYZJYKOZGGEXSX-UHFFFAOYSA-N
MW244.37 g/mol
LogP3.74
Rot. Bonds12

About 2-hydroxytetradecanoic acid

2-hydroxytetradecanoic acid (PubChem CID 1563) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is 2-hydroxytetradecanoic acid.

Molecular Properties

Compound Name2-hydroxytetradecanoic acid
PubChem CID1563
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name2-hydroxytetradecanoic acid
SMILESCCCCCCCCCCCCC(O)C(=O)O
InChIInChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17)
InChIKeyJYZJYKOZGGEXSX-UHFFFAOYSA-N
XLogP3.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.37
LogP ≤ 53.74
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

12-Hydroxystearic acid
CID 7789
Glyceryl 1-monooctanoate
CID 3033877
Hydroxycaprylic Acid
CID 94180
1-Decanoylglycerol
CID 92926
Monolaurin
CID 14871
10-Hydroxystearic Acid
CID 9561835
Methyl 12-hydroxystearate
CID 8840
(R)-3-hydroxytetradecanoic acid
CID 5288266
(+-)-3-Hydroxydodecanoic acid
CID 94216
(3S)-3-hydroxyoctanoic acid
CID 11367166
2-Hydroxydecanoic Acid
CID 21488
3-Hydroxydecanoic acid
CID 26612

Frequently Asked Questions

What is the IUPAC name of 2-hydroxytetradecanoic acid?
The IUPAC name of 2-hydroxytetradecanoic acid (CID 1563) is 2-hydroxytetradecanoic acid.
What is the SMILES notation for 2-hydroxytetradecanoic acid?
The canonical SMILES for 2-hydroxytetradecanoic acid is CCCCCCCCCCCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxytetradecanoic acid?
The InChIKey is JYZJYKOZGGEXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O3/c1-2-3-4-5-6-7-8-9-10-11-12-13(15)14(16)17/h13,15H,2-12H2,1H3,(H,16,17).
What are the key properties of 2-hydroxytetradecanoic acid?
2-hydroxytetradecanoic acid has a molecular weight of 244.37 g/mol, XLogP of 3.74, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxytetradecanoic acid is sourced from PubChem (CID 1563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).