[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]methyl hexadecanoate

C24H41NO3 — CID 10810490

IUPAC[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]methyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCc1cccc([C@@H](C)O)n1
InChIInChI=1S/C24H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(27)28-20-22-17-16-18-23(25-22)21(2)26/h16-18,21,26H,3-15,19-20H2,1-2H3/t21-/m1/s1
InChIKeyYAOJDKGLWCSZEU-OAQYLSRUSA-N
MW391.60 g/mol
LogP6.66
Rot. Bonds17

About [6-[(1R)-1-hydroxyethyl]-2-pyridinyl]methyl hexadecanoate

[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]methyl hexadecanoate (PubChem CID 10810490) has the molecular formula C24H41NO3 and a molecular weight of 391.60 g/mol. Its IUPAC name is [6-[(1R)-1-hydroxyethyl]-2-pyridinyl]methyl hexadecanoate.

Molecular Properties

Compound Name[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]methyl hexadecanoate
PubChem CID10810490
Molecular FormulaC24H41NO3
Molecular Weight391.60 g/mol
Exact Mass391.31
IUPAC Name[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]methyl hexadecanoate
SMILESCCCCCCCCCCCCCCCC(=O)OCc1cccc([C@@H](C)O)n1
InChIInChI=1S/C24H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(27)28-20-22-17-16-18-23(25-22)21(2)26/h16-18,21,26H,3-15,19-20H2,1-2H3/t21-/m1/s1
InChIKeyYAOJDKGLWCSZEU-OAQYLSRUSA-N
XLogP6.66
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

pyridin-2-ylmethyl 5-oxooctadecanoate
CID 91700204
[2-(heptanoyloxymethyl)phenyl]methyl heptanoate
CID 122421013
benzyl heptadecanoate
CID 522569
benzyl decanoate;N,N-dimethylmethanamine
CID 175539518
(2-ethyl-1,3-thiazol-4-yl)methyl hexanoate
CID 78842387
pyridin-3-ylmethyl hexatetracontanoate
CID 102180878
(4-propylphenyl)methyl decanoate
CID 23119708
2-hydroxypropyl tricosanoate
CID 102118698
[(2R)-2-hydroxypropyl] dodecanoate
CID 73416019
pyridin-3-ylmethyl 9-methyltetradecanoate
CID 91700055
thiophen-2-ylmethyl dodecanoate
CID 139970081
(3-tert-butylphenyl)methyl docosanoate
CID 91029911

Frequently Asked Questions

What is the IUPAC name of [6-[(1R)-1-hydroxyethyl]-2-pyridinyl]methyl hexadecanoate?
The IUPAC name of [6-[(1R)-1-hydroxyethyl]-2-pyridinyl]methyl hexadecanoate (CID 10810490) is [6-[(1R)-1-hydroxyethyl]-2-pyridinyl]methyl hexadecanoate.
What is the SMILES notation for [6-[(1R)-1-hydroxyethyl]-2-pyridinyl]methyl hexadecanoate?
The canonical SMILES for [6-[(1R)-1-hydroxyethyl]-2-pyridinyl]methyl hexadecanoate is CCCCCCCCCCCCCCCC(=O)OCc1cccc([C@@H](C)O)n1.
What is the InChIKey of [6-[(1R)-1-hydroxyethyl]-2-pyridinyl]methyl hexadecanoate?
The InChIKey is YAOJDKGLWCSZEU-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H41NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-24(27)28-20-22-17-16-18-23(25-22)21(2)26/h16-18,21,26H,3-15,19-20H2,1-2H3/t21-/m1/s1.
What are the key properties of [6-[(1R)-1-hydroxyethyl]-2-pyridinyl]methyl hexadecanoate?
[6-[(1R)-1-hydroxyethyl]-2-pyridinyl]methyl hexadecanoate has a molecular weight of 391.60 g/mol, XLogP of 6.66, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(1R)-1-hydroxyethyl]-2-pyridinyl]methyl hexadecanoate is sourced from PubChem (CID 10810490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).