19-hydroxynonadecan-2-one

C19H38O2 — CID 123829227

IUPAC19-hydroxynonadecan-2-one
SMILESCC(=O)CCCCCCCCCCCCCCCCCO
InChIInChI=1S/C19H38O2/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h20H,2-18H2,1H3
InChIKeyAWABHWYHCAKVRO-UHFFFAOYSA-N
MW298.51 g/mol
LogP5.81
Rot. Bonds17

About 19-hydroxynonadecan-2-one

19-hydroxynonadecan-2-one (PubChem CID 123829227) has the molecular formula C19H38O2 and a molecular weight of 298.51 g/mol. Its IUPAC name is 19-hydroxynonadecan-2-one.

Molecular Properties

Compound Name19-hydroxynonadecan-2-one
PubChem CID123829227
Molecular FormulaC19H38O2
Molecular Weight298.51 g/mol
Exact Mass298.29
IUPAC Name19-hydroxynonadecan-2-one
SMILESCC(=O)CCCCCCCCCCCCCCCCCO
InChIInChI=1S/C19H38O2/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h20H,2-18H2,1H3
InChIKeyAWABHWYHCAKVRO-UHFFFAOYSA-N
XLogP5.81
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds17
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

21-hydroxyhenicosan-2-one
CID 153324955
ethene;9-hydroxynonan-2-one
CID 23344517
5-hydroxypentan-2-one
CID 162230963
docosane-2,21-dione
CID 537416
pentadecane-2,14-dione
CID 10966641
butan-1-ol;heptan-2-one
CID 87902708
ethane-1,2-diol;henicosan-2-one
CID 167612528
7-[ethyl(7-hydroxyheptyl)amino]heptan-2-one
CID 171562657
butane-1,4-diol;bis(4-oxopentanoic acid)
CID 87560661
butan-1-ol;hexan-2-one
CID 20532115
tricosan-2-one
CID 529806
docosan-2-one
CID 522660

Frequently Asked Questions

What is the IUPAC name of 19-hydroxynonadecan-2-one?
The IUPAC name of 19-hydroxynonadecan-2-one (CID 123829227) is 19-hydroxynonadecan-2-one.
What is the SMILES notation for 19-hydroxynonadecan-2-one?
The canonical SMILES for 19-hydroxynonadecan-2-one is CC(=O)CCCCCCCCCCCCCCCCCO.
What is the InChIKey of 19-hydroxynonadecan-2-one?
The InChIKey is AWABHWYHCAKVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O2/c1-19(21)17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20/h20H,2-18H2,1H3.
What are the key properties of 19-hydroxynonadecan-2-one?
19-hydroxynonadecan-2-one has a molecular weight of 298.51 g/mol, XLogP of 5.81, 17 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 19-hydroxynonadecan-2-one is sourced from PubChem (CID 123829227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).