(13R)-13-hydroxynonadecan-2-one

C19H38O2 — CID 58468474

IUPAC(13R)-13-hydroxynonadecan-2-one
SMILESCCCCCC[C@@H](O)CCCCCCCCCCC(C)=O
InChIInChI=1S/C19H38O2/c1-3-4-5-13-16-19(21)17-14-11-9-7-6-8-10-12-15-18(2)20/h19,21H,3-17H2,1-2H3/t19-/m1/s1
InChIKeyACXICGJBLHVFQK-LJQANCHMSA-N
MW298.51 g/mol
LogP5.81
Rot. Bonds16

About (13R)-13-hydroxynonadecan-2-one

(13R)-13-hydroxynonadecan-2-one (PubChem CID 58468474) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is (13R)-13-hydroxynonadecan-2-one.

Molecular Properties

Compound Name(13R)-13-hydroxynonadecan-2-one
PubChem CID58468474
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name(13R)-13-hydroxynonadecan-2-one
SMILESCCCCCC[C@@H](O)CCCCCCCCCCC(C)=O
InChIInChI=1S/C19H38O2/c1-3-4-5-13-16-19(21)17-14-11-9-7-6-8-10-12-15-18(2)20/h19,21H,3-17H2,1-2H3/t19-/m1/s1
InChIKeyACXICGJBLHVFQK-LJQANCHMSA-N
XLogP5.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

10-hydroxynonadecan-2-one
CID 15922920
(7S)-7-hydroxydotriacontan-2-one
CID 162871149
heptadecan-2-one;hexadecan-2-one;10-hydroxyheptadecan-2-one;11-hydroxyheptadecan-2-one;pentadecan-2-one
CID 163962399
10,13-dihydroxynonadecan-2-one
CID 164804782
13-hydroxyheptadecan-2-one
CID 164804784
11-hydroxytridecan-2-one
CID 11687152
(22S)-22-hydroxytetratriacontan-13-one
CID 162898768
decan-2-one
CID 12741
octadecakis(hexane);nonan-2-one
CID 173226284
nonan-2-one
CID 13187
tricosan-2-one
CID 529806
docosan-2-one
CID 522660

Frequently Asked Questions

What is the IUPAC name of (13R)-13-hydroxynonadecan-2-one?
The IUPAC name of (13R)-13-hydroxynonadecan-2-one (CID 58468474) is (13R)-13-hydroxynonadecan-2-one.
What is the SMILES notation for (13R)-13-hydroxynonadecan-2-one?
The canonical SMILES for (13R)-13-hydroxynonadecan-2-one is CCCCCC[C@@H](O)CCCCCCCCCCC(C)=O.
What is the InChIKey of (13R)-13-hydroxynonadecan-2-one?
The InChIKey is ACXICGJBLHVFQK-LJQANCHMSA-N. The full InChI is InChI=1S/C19H38O2/c1-3-4-5-13-16-19(21)17-14-11-9-7-6-8-10-12-15-18(2)20/h19,21H,3-17H2,1-2H3/t19-/m1/s1.
What are the key properties of (13R)-13-hydroxynonadecan-2-one?
(13R)-13-hydroxynonadecan-2-one has a molecular weight of 298.51 g/mol, XLogP of 5.81, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (13R)-13-hydroxynonadecan-2-one is sourced from PubChem (CID 58468474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).