2-hydroxy-17-methyloctadecanoic acid

C19H38O3 — CID 23427391

IUPAC2-hydroxy-17-methyloctadecanoic acid
SMILESCC(C)CCCCCCCCCCCCCCC(O)C(=O)O
InChIInChI=1S/C19H38O3/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)19(21)22/h17-18,20H,3-16H2,1-2H3,(H,21,22)
InChIKeyNKGLGTMODIPSNJ-UHFFFAOYSA-N
MW314.51 g/mol
LogP5.55
Rot. Bonds16

About 2-hydroxy-17-methyloctadecanoic acid

2-hydroxy-17-methyloctadecanoic acid (PubChem CID 23427391) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is 2-hydroxy-17-methyloctadecanoic acid.

Molecular Properties

Compound Name2-hydroxy-17-methyloctadecanoic acid
PubChem CID23427391
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name2-hydroxy-17-methyloctadecanoic acid
SMILESCC(C)CCCCCCCCCCCCCCC(O)C(=O)O
InChIInChI=1S/C19H38O3/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)19(21)22/h17-18,20H,3-16H2,1-2H3,(H,21,22)
InChIKeyNKGLGTMODIPSNJ-UHFFFAOYSA-N
XLogP5.55
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.51
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-hydroxy-17-methyloctadecanoic 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

2-hydroxydecanoic acid
CID 161255514
(2R)-2-hydroxydecanoic acid
CID 13144006
2-hydroxytridecanoic acid
CID 5282901
2-hydroxyoctadecanoic acid
CID 87724091
2-hydroxytetradecanoic acid;titanium
CID 174290276
2-hydroxybutanedioic acid;16-methylheptadecan-1-ol
CID 174612874
2,10-dihydroxydecanoic acid
CID 23158566
2-hydroxyheptanoic acid
CID 2750949
2,11-dimethyldodecanoic acid
CID 22251841
2,7-bis(11-methyldodecyl)octanedioic acid
CID 175152191
2,9-dimethyldecanoic acid
CID 22251838
sodium;hydride;2-hydroxynonanoic acid
CID 175073840

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-17-methyloctadecanoic acid?
The IUPAC name of 2-hydroxy-17-methyloctadecanoic acid (CID 23427391) is 2-hydroxy-17-methyloctadecanoic acid.
What is the SMILES notation for 2-hydroxy-17-methyloctadecanoic acid?
The canonical SMILES for 2-hydroxy-17-methyloctadecanoic acid is CC(C)CCCCCCCCCCCCCCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-17-methyloctadecanoic acid?
The InChIKey is NKGLGTMODIPSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(20)19(21)22/h17-18,20H,3-16H2,1-2H3,(H,21,22).
What are the key properties of 2-hydroxy-17-methyloctadecanoic acid?
2-hydroxy-17-methyloctadecanoic acid has a molecular weight of 314.51 g/mol, XLogP of 5.55, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-17-methyloctadecanoic acid is sourced from PubChem (CID 23427391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).