10,13-dihydroxynonadecan-2-one

C19H38O3 — CID 164804782

IUPAC10,13-dihydroxynonadecan-2-one
SMILESCCCCCCC(O)CCC(O)CCCCCCCC(C)=O
InChIInChI=1S/C19H38O3/c1-3-4-5-10-13-18(21)15-16-19(22)14-11-8-6-7-9-12-17(2)20/h18-19,21-22H,3-16H2,1-2H3
InChIKeyRNNVAEZVVATEMZ-UHFFFAOYSA-N
MW314.51 g/mol
LogP4.78
Rot. Bonds16

About 10,13-dihydroxynonadecan-2-one

10,13-dihydroxynonadecan-2-one (PubChem CID 164804782) has the molecular formula C19H38O3 and a molecular weight of 314.51 g/mol. Its IUPAC name is 10,13-dihydroxynonadecan-2-one.

Molecular Properties

Compound Name10,13-dihydroxynonadecan-2-one
PubChem CID164804782
Molecular FormulaC19H38O3
Molecular Weight314.51 g/mol
Exact Mass314.28
IUPAC Name10,13-dihydroxynonadecan-2-one
SMILESCCCCCCC(O)CCC(O)CCCCCCCC(C)=O
InChIInChI=1S/C19H38O3/c1-3-4-5-10-13-18(21)15-16-19(22)14-11-8-6-7-9-12-17(2)20/h18-19,21-22H,3-16H2,1-2H3
InChIKeyRNNVAEZVVATEMZ-UHFFFAOYSA-N
XLogP4.78
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.51
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
(13R)-13-hydroxynonadecan-2-one
CID 58468474
(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
13-hydroxyheptadecan-2-one
CID 164804784
10,13-dihydroxyhenicosan-2-one;10,13-dihydroxyheptadecan-2-one;10,13-dihydroxynonadecan-2-one;10,13-dihydroxypentadecan-2-one;10,13-dihydroxytridecan-2-one;13-hydroxyhenicosan-2-one;13-hydroxyheptadecan-2-one;13-hydroxynonadecan-2-one;13-hydroxypentadecan-2-one;13-hydroxytridecan-2-one
CID 165096414
18,21-dihydroxytriacontanoic acid
CID 169277047
11-hydroxytridecan-2-one
CID 11687152
(22S)-22-hydroxytetratriacontan-13-one
CID 162898768
octadecakis(hexane);nonan-2-one
CID 173226284
decan-2-one
CID 12741
octadecane-8,11-diol
CID 101412726

Frequently Asked Questions

What is the IUPAC name of 10,13-dihydroxynonadecan-2-one?
The IUPAC name of 10,13-dihydroxynonadecan-2-one (CID 164804782) is 10,13-dihydroxynonadecan-2-one.
What is the SMILES notation for 10,13-dihydroxynonadecan-2-one?
The canonical SMILES for 10,13-dihydroxynonadecan-2-one is CCCCCCC(O)CCC(O)CCCCCCCC(C)=O.
What is the InChIKey of 10,13-dihydroxynonadecan-2-one?
The InChIKey is RNNVAEZVVATEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O3/c1-3-4-5-10-13-18(21)15-16-19(22)14-11-8-6-7-9-12-17(2)20/h18-19,21-22H,3-16H2,1-2H3.
What are the key properties of 10,13-dihydroxynonadecan-2-one?
10,13-dihydroxynonadecan-2-one has a molecular weight of 314.51 g/mol, XLogP of 4.78, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10,13-dihydroxynonadecan-2-one is sourced from PubChem (CID 164804782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).