(2-decoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium

C18H38NO4+ — CID 175686184

IUPAC(2-decoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium
SMILESCCCCCCCCCCOC(=O)C[N+](C)(C)CCOCCO
InChIInChI=1S/C18H38NO4/c1-4-5-6-7-8-9-10-11-14-23-18(21)17-19(2,3)12-15-22-16-13-20/h20H,4-17H2,1-3H3/q+1
InChIKeyDZJBMPHNAVWRJH-UHFFFAOYSA-N
MW332.51 g/mol
LogP2.76
Rot. Bonds16

About (2-decoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium

(2-decoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium (PubChem CID 175686184) has the molecular formula C18H38NO4+ and a molecular weight of 332.51 g/mol. Its IUPAC name is (2-decoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium.

Molecular Properties

Compound Name(2-decoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium
PubChem CID175686184
Molecular FormulaC18H38NO4+
Molecular Weight332.51 g/mol
Exact Mass332.28
IUPAC Name(2-decoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium
SMILESCCCCCCCCCCOC(=O)C[N+](C)(C)CCOCCO
InChIInChI=1S/C18H38NO4/c1-4-5-6-7-8-9-10-11-14-23-18(21)17-19(2,3)12-15-22-16-13-20/h20H,4-17H2,1-3H3/q+1
InChIKeyDZJBMPHNAVWRJH-UHFFFAOYSA-N
XLogP2.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.51
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-decoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-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

(2-decoxy-2-oxoethyl)-[2-[2-[(2-decoxy-2-oxoethyl)-dimethylazaniumyl]ethoxy]ethyl]-dimethylazanium
CID 5237040
(2-dodecoxy-2-oxoethyl)-[6-[(2-dodecoxy-2-oxoethyl)-dimethylazaniumyl]hexyl]-dimethylazanium chloride
CID 156594940
(2-hexadecoxy-2-oxoethyl)-bis[2-[(2-hexadecoxy-2-oxoethyl)-dimethylazaniumyl]ethyl]-methylazanium chloride
CID 156594939
2-(2-hydroxyethoxy)ethyl-dimethyl-octadecylazanium
CID 5193628
(2-dodecoxy-2-oxoethyl)-tris(2-hydroxyethyl)azanium
CID 100972951
butyl octadecanoate;2-(2-hydroxyethoxy)ethanol
CID 23498291
[2-(2-dodecoxyethoxy)-2-oxoethyl]-dimethyl-(3-sulfopropyl)azanium
CID 177466238
2-[dimethyl-[2-[2-[2-(2-tetradecoxyethoxy)ethoxy]ethoxy]ethyl]azaniumyl]acetate
CID 177398326
(2-dodecoxy-2-oxoethyl)-[[(2-dodecoxy-2-oxoethyl)-dimethylazaniumyl]methylsulfanylmethyl]-dimethylazanium dichloride
CID 156699850
(2-decoxy-2-oxoethyl)-dimethyl-propan-2-ylazanium
CID 144771316
3-[[2-(2-dodecoxyethoxy)-2-oxoethyl]-dimethylazaniumyl]propane-1-sulfonate
CID 177466237
hexacosyl 2-hydroxyacetate
CID 156789960

Frequently Asked Questions

What is the IUPAC name of (2-decoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium?
The IUPAC name of (2-decoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium (CID 175686184) is (2-decoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium.
What is the SMILES notation for (2-decoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium?
The canonical SMILES for (2-decoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium is CCCCCCCCCCOC(=O)C[N+](C)(C)CCOCCO.
What is the InChIKey of (2-decoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium?
The InChIKey is DZJBMPHNAVWRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38NO4/c1-4-5-6-7-8-9-10-11-14-23-18(21)17-19(2,3)12-15-22-16-13-20/h20H,4-17H2,1-3H3/q+1.
What are the key properties of (2-decoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium?
(2-decoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium has a molecular weight of 332.51 g/mol, XLogP of 2.76, 16 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-decoxy-2-oxoethyl)-[2-(2-hydroxyethoxy)ethyl]-dimethylazanium is sourced from PubChem (CID 175686184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).