(2R)-2-hydroxy-2-methyloctadecanoic acid

C19H38O3 — CID 172684339

IUPAC(2R)-2-hydroxy-2-methyloctadecanoic acid
SMILESCCCCCCCCCCCCCCCC[C@@](C)(O)C(=O)O
InChIInChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2,22)18(20)21/h22H,3-17H2,1-2H3,(H,20,21)/t19-/m1/s1
InChIKeyAVGLYNCSDWUUMH-LJQANCHMSA-N
MW314.51 g/mol
LogP5.69
Rot. Bonds16

About (2R)-2-hydroxy-2-methyloctadecanoic acid

(2R)-2-hydroxy-2-methyloctadecanoic acid (PubChem CID 172684339) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-methyloctadecanoic acid.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-methyloctadecanoic acid
PubChem CID172684339
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name(2R)-2-hydroxy-2-methyloctadecanoic acid
SMILESCCCCCCCCCCCCCCCC[C@@](C)(O)C(=O)O
InChIInChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2,22)18(20)21/h22H,3-17H2,1-2H3,(H,20,21)/t19-/m1/s1
InChIKeyAVGLYNCSDWUUMH-LJQANCHMSA-N
XLogP5.69
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 ≤ 55.69
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

2-hydroxy-2-methylheptadecanoic acid
CID 19591844
calcium;2,4-dihydroxy-2,4-dimethyl-3-oxodocosanoic acid;hydride
CID 174546092
2-hexyl-2-methyldecanoic acid
CID 86051716
2-decyl-2-methyltetradecanoic acid
CID 611890
(2R)-2-dodecyl-2-hydroxytricosanoic acid
CID 163058779
2-hydroxy-2-pentyloctanoic acid
CID 18462834
2,2-dimethyldocosanoic acid
CID 23471202
2,3-dihexyl-2,3-dihydroxybutanedioic acid
CID 18506288
2,3-dihydroxy-2,3-dioctadecylbutanedioic acid
CID 87193003
2-decyl-2-methylicosanoic acid
CID 174997379
2-heptyl-2-methylpropanedioic acid
CID 89147986
1,3-dihydroxy-3-methylnonan-2-one
CID 13486012

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-methyloctadecanoic acid?
The IUPAC name of (2R)-2-hydroxy-2-methyloctadecanoic acid (CID 172684339) is (2R)-2-hydroxy-2-methyloctadecanoic acid.
What is the SMILES notation for (2R)-2-hydroxy-2-methyloctadecanoic acid?
The canonical SMILES for (2R)-2-hydroxy-2-methyloctadecanoic acid is CCCCCCCCCCCCCCCC[C@@](C)(O)C(=O)O.
What is the InChIKey of (2R)-2-hydroxy-2-methyloctadecanoic acid?
The InChIKey is AVGLYNCSDWUUMH-LJQANCHMSA-N. The full InChI is InChI=1S/C19H38O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2,22)18(20)21/h22H,3-17H2,1-2H3,(H,20,21)/t19-/m1/s1.
What are the key properties of (2R)-2-hydroxy-2-methyloctadecanoic acid?
(2R)-2-hydroxy-2-methyloctadecanoic acid has a molecular weight of 314.51 g/mol, XLogP of 5.69, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-methyloctadecanoic acid is sourced from PubChem (CID 172684339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).