3-hydroxytetracosanoic acid

C24H48O3 — CID 5312781

IUPAC3-hydroxytetracosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)O
InChIInChI=1S/C24H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24(26)27/h23,25H,2-22H2,1H3,(H,26,27)
InChIKeyDVDLWGAAEYKXSB-UHFFFAOYSA-N
MW384.65 g/mol
LogP7.64
Rot. Bonds22

About 3-hydroxytetracosanoic acid

3-hydroxytetracosanoic acid (PubChem CID 5312781) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is 3-hydroxytetracosanoic acid.

Molecular Properties

Compound Name3-hydroxytetracosanoic acid
PubChem CID5312781
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Name3-hydroxytetracosanoic acid
SMILESCCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)O
InChIInChI=1S/C24H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24(26)27/h23,25H,2-22H2,1H3,(H,26,27)
InChIKeyDVDLWGAAEYKXSB-UHFFFAOYSA-N
XLogP7.64
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 57.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hydroxytetracosanoic 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

3-hydroxyoctadecanoic acid
CID 158545826
3-hydroxyoctanoic acid
CID 159718411
(3R,5R)-3,5-dihydroxydocosanoic acid
CID 102203188
(Z)-3-hydroxyhexadec-10-enoic acid
CID 164665006
(Z,3R)-3-hydroxytetradec-7-enoic acid
CID 24881363
(3R)-3,8-dihydroxytetradec-5-enoic acid
CID 57012260
3-hydroxybutanoic acid;3-hydroxydecanoic acid;3-hydroxydodecanoic acid;3-hydroxyheptanoic acid;3-hydroxyhexanoic acid;3-hydroxynonanoic acid;3-hydroxyoctanoic acid;3-hydroxypentanoic acid;3-hydroxyundecanoic acid
CID 173057054
3,13-dihydroxytetradecanoic acid
CID 146242796
(3R,14R)-3,14-dihydroxypentadecanoic acid
CID 86289835
(3R,15S)-3,15-dihydroxyhexadecanoic acid
CID 100641841
9-amino-3-hydroxyundecanoic acid
CID 175426923
3-(3-hydroxyoctadecanoyloxy)decanoic acid
CID 175031364

Frequently Asked Questions

What is the IUPAC name of 3-hydroxytetracosanoic acid?
The IUPAC name of 3-hydroxytetracosanoic acid (CID 5312781) is 3-hydroxytetracosanoic acid.
What is the SMILES notation for 3-hydroxytetracosanoic acid?
The canonical SMILES for 3-hydroxytetracosanoic acid is CCCCCCCCCCCCCCCCCCCCCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxytetracosanoic acid?
The InChIKey is DVDLWGAAEYKXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24(26)27/h23,25H,2-22H2,1H3,(H,26,27).
What are the key properties of 3-hydroxytetracosanoic acid?
3-hydroxytetracosanoic acid has a molecular weight of 384.65 g/mol, XLogP of 7.64, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxytetracosanoic acid is sourced from PubChem (CID 5312781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).