1,10,11-trihydroxynonadecan-2-one

C19H38O4 — CID 154932134

IUPAC1,10,11-trihydroxynonadecan-2-one
SMILESCCCCCCCCC(O)C(O)CCCCCCCC(=O)CO
InChIInChI=1S/C19H38O4/c1-2-3-4-5-8-11-14-18(22)19(23)15-12-9-6-7-10-13-17(21)16-20/h18-20,22-23H,2-16H2,1H3
InChIKeyFTJYHJNOIXHHMW-UHFFFAOYSA-N
MW330.51 g/mol
LogP3.75
Rot. Bonds17

About 1,10,11-trihydroxynonadecan-2-one

1,10,11-trihydroxynonadecan-2-one (PubChem CID 154932134) has the molecular formula C19H38O4 and a molecular weight of 330.51 g/mol. Its IUPAC name is 1,10,11-trihydroxynonadecan-2-one.

Molecular Properties

Compound Name1,10,11-trihydroxynonadecan-2-one
PubChem CID154932134
Molecular FormulaC19H38O4
Molecular Weight330.51 g/mol
Exact Mass330.28
IUPAC Name1,10,11-trihydroxynonadecan-2-one
SMILESCCCCCCCCC(O)C(O)CCCCCCCC(=O)CO
InChIInChI=1S/C19H38O4/c1-2-3-4-5-8-11-14-18(22)19(23)15-12-9-6-7-10-13-17(21)16-20/h18-20,22-23H,2-16H2,1H3
InChIKeyFTJYHJNOIXHHMW-UHFFFAOYSA-N
XLogP3.75
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxyheptadecane-2,9-dione
CID 153452315
1-hydroxy-10-(hydroxymethyl)nonadecan-2-one
CID 59638627
(7S,8S)-7,8-dihydroxytetradecanoic acid
CID 101332605
nonacosane-14,15-diol
CID 91509633
(9S,10S)-9,10-dihydroxyoctadecanoate
CID 25201168
octanoic acid;tridecane-1,2,3-triol
CID 162007847
(22S)-22-hydroxytetratriacontan-13-one
CID 162898768
tris(9,10-dihydroxyoctadecanoate);(9S,10R)-9,10-dihydroxyoctadecanoate;osmium(4+);tetrakis(oxygen(2-))
CID 173309325
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
25-hydroxyhexatetracontan-21-one
CID 163029416
5,6-dihydroxyoctadecanoic acid
CID 5282926
methyl (12R,13S)-12,13-dihydroxyoctadecanoate
CID 101047817

Frequently Asked Questions

What is the IUPAC name of 1,10,11-trihydroxynonadecan-2-one?
The IUPAC name of 1,10,11-trihydroxynonadecan-2-one (CID 154932134) is 1,10,11-trihydroxynonadecan-2-one.
What is the SMILES notation for 1,10,11-trihydroxynonadecan-2-one?
The canonical SMILES for 1,10,11-trihydroxynonadecan-2-one is CCCCCCCCC(O)C(O)CCCCCCCC(=O)CO.
What is the InChIKey of 1,10,11-trihydroxynonadecan-2-one?
The InChIKey is FTJYHJNOIXHHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38O4/c1-2-3-4-5-8-11-14-18(22)19(23)15-12-9-6-7-10-13-17(21)16-20/h18-20,22-23H,2-16H2,1H3.
What are the key properties of 1,10,11-trihydroxynonadecan-2-one?
1,10,11-trihydroxynonadecan-2-one has a molecular weight of 330.51 g/mol, XLogP of 3.75, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10,11-trihydroxynonadecan-2-one is sourced from PubChem (CID 154932134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).