(2S)-2-hydroxytetradecanoic acid

C14H28O3 — CID 656737

IUPAC(2S)-2-hydroxytetradecanoic acid
SMILESCCCCCCCCCCCC[C@H](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)/t13-/m0/s1
InChIKeyJYZJYKOZGGEXSX-ZDUSSCGKSA-N
MW244.37 g/mol
LogP3.74
Rot. Bonds12

About (2S)-2-hydroxytetradecanoic acid

(2S)-2-hydroxytetradecanoic acid (PubChem CID 656737) has the molecular formula C14H28O3 and a molecular weight of 244.37 g/mol. Its IUPAC name is (2S)-2-hydroxytetradecanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxytetradecanoic acid
PubChem CID656737
Molecular FormulaC14H28O3
Molecular Weight244.37 g/mol
Exact Mass244.20
IUPAC Name(2S)-2-hydroxytetradecanoic acid
SMILESCCCCCCCCCCCC[C@H](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)/t13-/m0/s1
InChIKeyJYZJYKOZGGEXSX-ZDUSSCGKSA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxytetradecanoic acid?
The IUPAC name of (2S)-2-hydroxytetradecanoic acid (CID 656737) is (2S)-2-hydroxytetradecanoic acid.
What is the SMILES notation for (2S)-2-hydroxytetradecanoic acid?
The canonical SMILES for (2S)-2-hydroxytetradecanoic acid is CCCCCCCCCCCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxytetradecanoic acid?
The InChIKey is JYZJYKOZGGEXSX-ZDUSSCGKSA-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)/t13-/m0/s1.
What are the key properties of (2S)-2-hydroxytetradecanoic acid?
(2S)-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 (2S)-2-hydroxytetradecanoic acid is sourced from PubChem (CID 656737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).