2-decyl-3-hydroxytetradecanoic acid

C24H48O3 — CID 3023395

IUPAC2-decyl-3-hydroxytetradecanoic acid
SMILESCCCCCCCCCCCC(O)C(CCCCCCCCCC)C(=O)O
InChIInChI=1S/C24H48O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)22(24(26)27)20-18-16-14-12-10-8-6-4-2/h22-23,25H,3-21H2,1-2H3,(H,26,27)
InChIKeyNRUVALJAGRJLKU-UHFFFAOYSA-N
MW384.65 g/mol
LogP7.50
Rot. Bonds21

About 2-decyl-3-hydroxytetradecanoic acid

2-decyl-3-hydroxytetradecanoic acid (PubChem CID 3023395) has the molecular formula C24H48O3 and a molecular weight of 384.65 g/mol. Its IUPAC name is 2-decyl-3-hydroxytetradecanoic acid.

Molecular Properties

Compound Name2-decyl-3-hydroxytetradecanoic acid
PubChem CID3023395
Molecular FormulaC24H48O3
Molecular Weight384.65 g/mol
Exact Mass384.36
IUPAC Name2-decyl-3-hydroxytetradecanoic acid
SMILESCCCCCCCCCCCC(O)C(CCCCCCCCCC)C(=O)O
InChIInChI=1S/C24H48O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)22(24(26)27)20-18-16-14-12-10-8-6-4-2/h22-23,25H,3-21H2,1-2H3,(H,26,27)
InChIKeyNRUVALJAGRJLKU-UHFFFAOYSA-N
XLogP7.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 57.50
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 2-decyl-3-hydroxytetradecanoic acid?
The IUPAC name of 2-decyl-3-hydroxytetradecanoic acid (CID 3023395) is 2-decyl-3-hydroxytetradecanoic acid.
What is the SMILES notation for 2-decyl-3-hydroxytetradecanoic acid?
The canonical SMILES for 2-decyl-3-hydroxytetradecanoic acid is CCCCCCCCCCCC(O)C(CCCCCCCCCC)C(=O)O.
What is the InChIKey of 2-decyl-3-hydroxytetradecanoic acid?
The InChIKey is NRUVALJAGRJLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O3/c1-3-5-7-9-11-13-15-17-19-21-23(25)22(24(26)27)20-18-16-14-12-10-8-6-4-2/h22-23,25H,3-21H2,1-2H3,(H,26,27).
What are the key properties of 2-decyl-3-hydroxytetradecanoic acid?
2-decyl-3-hydroxytetradecanoic acid has a molecular weight of 384.65 g/mol, XLogP of 7.50, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-3-hydroxytetradecanoic acid is sourced from PubChem (CID 3023395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).