2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium chloride

C18H39Cl2NO2 — CID 18527385

IUPAC2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium chloride
SMILESCCCCCCCCCC[N+](C)(C)CCOCCOCCCl.[Cl-]
InChIInChI=1S/C18H39ClNO2.ClH/c1-4-5-6-7-8-9-10-11-13-20(2,3)14-16-22-18-17-21-15-12-19;/h4-18H2,1-3H3;1H/q+1;/p-1
InChIKeyFRPCZGDVMMBAFB-UHFFFAOYSA-M
MW372.42 g/mol
LogP1.48
Rot. Bonds17

About 2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium chloride

2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium chloride (PubChem CID 18527385) has the molecular formula C18H39Cl2NO2 and a molecular weight of 372.42 g/mol. Its IUPAC name is 2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium chloride
PubChem CID18527385
Molecular FormulaC18H39Cl2NO2
Molecular Weight372.42 g/mol
Exact Mass371.24
IUPAC Name2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium chloride
SMILESCCCCCCCCCC[N+](C)(C)CCOCCOCCCl.[Cl-]
InChIInChI=1S/C18H39ClNO2.ClH/c1-4-5-6-7-8-9-10-11-13-20(2,3)14-16-22-18-17-21-15-12-19;/h4-18H2,1-3H3;1H/q+1;/p-1
InChIKeyFRPCZGDVMMBAFB-UHFFFAOYSA-M
XLogP1.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium
CID 5176685
dodecyl-[2-[2-[dodecyl(dimethyl)azaniumyl]ethoxymethoxy]ethyl]-dimethylazanium
CID 138394683
2-chloroethyl-dimethyl-undecylazanium chloride
CID 139953575
2-(2-hydroxyethoxy)ethyl-dimethyl-octadecylazanium
CID 5193628
4-chlorobutyl-heptyl-dimethylazanium
CID 54088244
decyl-hexyl-dimethylazanium chloride
CID 19369138
hexyl-icosyl-dimethylazanium chloride
CID 141083999
bis(hexadecyl-dimethyl-octadecylazanium) dichloride
CID 141075415
decyl-dimethyl-nonylazanium chloride
CID 23185420
4-chlorobutyl-dimethyl-octylazanium bromide
CID 139953397
3-chloropropyl-dimethyl-octylazanium iodide
CID 139953735
2-chloroethyl-decyl-dimethylazanium bromide
CID 139952688

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium chloride?
The IUPAC name of 2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium chloride (CID 18527385) is 2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium chloride.
What is the SMILES notation for 2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium chloride?
The canonical SMILES for 2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium chloride is CCCCCCCCCC[N+](C)(C)CCOCCOCCCl.[Cl-].
What is the InChIKey of 2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium chloride?
The InChIKey is FRPCZGDVMMBAFB-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H39ClNO2.ClH/c1-4-5-6-7-8-9-10-11-13-20(2,3)14-16-22-18-17-21-15-12-19;/h4-18H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium chloride?
2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium chloride has a molecular weight of 372.42 g/mol, XLogP of 1.48, 17 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloroethoxy)ethoxy]ethyl-decyl-dimethylazanium chloride is sourced from PubChem (CID 18527385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).