(2-hydroxy-3-oxooctyl)-trimethylazanium

C11H24NO2+ — CID 23183496

IUPAC(2-hydroxy-3-oxooctyl)-trimethylazanium
SMILESCCCCCC(=O)C(O)C[N+](C)(C)C
InChIInChI=1S/C11H24NO2/c1-5-6-7-8-10(13)11(14)9-12(2,3)4/h11,14H,5-9H2,1-4H3/q+1
InChIKeyKWKVXFGAIIGWCG-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.20
Rot. Bonds7

About (2-hydroxy-3-oxooctyl)-trimethylazanium

(2-hydroxy-3-oxooctyl)-trimethylazanium (PubChem CID 23183496) has the molecular formula C11H24NO2+ and a molecular weight of 202.32 g/mol. Its IUPAC name is (2-hydroxy-3-oxooctyl)-trimethylazanium.

Molecular Properties

Compound Name(2-hydroxy-3-oxooctyl)-trimethylazanium
PubChem CID23183496
Molecular FormulaC11H24NO2+
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name(2-hydroxy-3-oxooctyl)-trimethylazanium
SMILESCCCCCC(=O)C(O)C[N+](C)(C)C
InChIInChI=1S/C11H24NO2/c1-5-6-7-8-10(13)11(14)9-12(2,3)4/h11,14H,5-9H2,1-4H3/q+1
InChIKeyKWKVXFGAIIGWCG-UHFFFAOYSA-N
XLogP1.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxy-3-oxohexadecyl)-trimethylazanium chloride
CID 118293432
(2-hydroxy-3-oxoicosyl)-dimethyl-octadecylazanium
CID 87530865
(6-amino-2-hydroxy-3-oxohexyl)-trimethylazanium;chloride;hydrochloride
CID 21126986
(3-carboxy-2-hydroxy-4-oxononyl)-trimethylazanium
CID 22601733
(11S)-11-hydroxyicosan-10-one
CID 98053519
(9S)-9-hydroxyhexadecan-8-one
CID 97045447
15-hydroxyoctacosan-14-one
CID 11270216
(9R)-9-hydroxyhexadecan-8-one
CID 97045448
[3-oxo-1-(trimethylazaniumyl)docosan-2-yl]oxyphosphanide
CID 175063853
[3-oxo-1-(trimethylazaniumyl)tetradecan-2-yl]oxyphosphanide
CID 174532261
(2-hexadecanoyl-4-oxononadecyl)-trimethylazanium
CID 19378411
[3-oxo-1-(trimethylazaniumyl)nonadecan-2-yl]oxyphosphanide
CID 175437106

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-oxooctyl)-trimethylazanium?
The IUPAC name of (2-hydroxy-3-oxooctyl)-trimethylazanium (CID 23183496) is (2-hydroxy-3-oxooctyl)-trimethylazanium.
What is the SMILES notation for (2-hydroxy-3-oxooctyl)-trimethylazanium?
The canonical SMILES for (2-hydroxy-3-oxooctyl)-trimethylazanium is CCCCCC(=O)C(O)C[N+](C)(C)C.
What is the InChIKey of (2-hydroxy-3-oxooctyl)-trimethylazanium?
The InChIKey is KWKVXFGAIIGWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO2/c1-5-6-7-8-10(13)11(14)9-12(2,3)4/h11,14H,5-9H2,1-4H3/q+1.
What are the key properties of (2-hydroxy-3-oxooctyl)-trimethylazanium?
(2-hydroxy-3-oxooctyl)-trimethylazanium has a molecular weight of 202.32 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-3-oxooctyl)-trimethylazanium is sourced from PubChem (CID 23183496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).