2,2-diacetyloxyethyl-(2-hydroxyethyl)-dimethylazanium

C10H20NO5+ — CID 174981768

IUPAC2,2-diacetyloxyethyl-(2-hydroxyethyl)-dimethylazanium
SMILESCC(=O)OC(C[N+](C)(C)CCO)OC(C)=O
InChIInChI=1S/C10H20NO5/c1-8(13)15-10(16-9(2)14)7-11(3,4)5-6-12/h10,12H,5-7H2,1-4H3/q+1
InChIKeyLVIWTDUYQBFPBI-UHFFFAOYSA-N
MW234.27 g/mol
LogP-0.49
Rot. Bonds6

About 2,2-diacetyloxyethyl-(2-hydroxyethyl)-dimethylazanium

2,2-diacetyloxyethyl-(2-hydroxyethyl)-dimethylazanium (PubChem CID 174981768) has the molecular formula C10H20NO5+ and a molecular weight of 234.27 g/mol. Its IUPAC name is 2,2-diacetyloxyethyl-(2-hydroxyethyl)-dimethylazanium.

Molecular Properties

Compound Name2,2-diacetyloxyethyl-(2-hydroxyethyl)-dimethylazanium
PubChem CID174981768
Molecular FormulaC10H20NO5+
Molecular Weight234.27 g/mol
Exact Mass234.13
IUPAC Name2,2-diacetyloxyethyl-(2-hydroxyethyl)-dimethylazanium
SMILESCC(=O)OC(C[N+](C)(C)CCO)OC(C)=O
InChIInChI=1S/C10H20NO5/c1-8(13)15-10(16-9(2)14)7-11(3,4)5-6-12/h10,12H,5-7H2,1-4H3/q+1
InChIKeyLVIWTDUYQBFPBI-UHFFFAOYSA-N
XLogP-0.49
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 2,2-diacetyloxyethyl-(2-hydroxyethyl)-dimethylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-2-acetyloxy-3-carboxypropyl]-trimethylazanium;2,3-dihydroxybutanedioic acid;2-hydroxyethyl(trimethyl)azanium
CID 11952950
2-acetyloxydecyl-dimethyl-octylazanium
CID 88514378
diacetoxyethylsilane
CID 57248642
[1-acetyloxy-3-(trimethylazaniumyl)propyl]-trimethylazanium
CID 87688018
2-acetyloxyoctadecyl-(2-carboxyethyl)-dimethylazanium
CID 88682437
[(2S)-2-acetyloxy-3-carboxypropyl]-trimethylazanium
CID 18231
2-acetyloxypropyl(tripropyl)azanium
CID 24833508
[(2R)-2-acetyloxy-3-carboxypropyl]-trimethylazanium
CID 71309457
(3-acetyloxy-3-carboxypropyl)-trimethylazanium
CID 174238274
3-cyanopropyl-(2-hydroxyethyl)-dimethylazanium;acetate;hydrobromide
CID 23623162
(2-acetyloxy-5-hydroxypentyl)-ethyl-dipropylazanium
CID 57042985
(1-acetyloxy-3-oxopropyl) acetate
CID 88624567

Frequently Asked Questions

What is the IUPAC name of 2,2-diacetyloxyethyl-(2-hydroxyethyl)-dimethylazanium?
The IUPAC name of 2,2-diacetyloxyethyl-(2-hydroxyethyl)-dimethylazanium (CID 174981768) is 2,2-diacetyloxyethyl-(2-hydroxyethyl)-dimethylazanium.
What is the SMILES notation for 2,2-diacetyloxyethyl-(2-hydroxyethyl)-dimethylazanium?
The canonical SMILES for 2,2-diacetyloxyethyl-(2-hydroxyethyl)-dimethylazanium is CC(=O)OC(C[N+](C)(C)CCO)OC(C)=O.
What is the InChIKey of 2,2-diacetyloxyethyl-(2-hydroxyethyl)-dimethylazanium?
The InChIKey is LVIWTDUYQBFPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO5/c1-8(13)15-10(16-9(2)14)7-11(3,4)5-6-12/h10,12H,5-7H2,1-4H3/q+1.
What are the key properties of 2,2-diacetyloxyethyl-(2-hydroxyethyl)-dimethylazanium?
2,2-diacetyloxyethyl-(2-hydroxyethyl)-dimethylazanium has a molecular weight of 234.27 g/mol, XLogP of -0.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diacetyloxyethyl-(2-hydroxyethyl)-dimethylazanium is sourced from PubChem (CID 174981768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).