dodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide

C22H44INO3 — CID 118037814

IUPACdodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide
SMILESC=C(C)C(=O)OCCOCC[N+](C)(C)CCCCCCCCCCCC.[I-]
InChIInChI=1S/C22H44NO3.HI/c1-6-7-8-9-10-11-12-13-14-15-16-23(4,5)17-18-25-19-20-26-22(24)21(2)3;/h2,6-20H2,1,3-5H3;1H/q+1;/p-1
InChIKeyTYQDQBXVETURIN-UHFFFAOYSA-M
MW497.50 g/mol
LogP2.12
Rot. Bonds18

About dodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide

dodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide (PubChem CID 118037814) has the molecular formula C22H44INO3 and a molecular weight of 497.50 g/mol. Its IUPAC name is dodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide.

Molecular Properties

Compound Namedodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide
PubChem CID118037814
Molecular FormulaC22H44INO3
Molecular Weight497.50 g/mol
Exact Mass497.24
IUPAC Namedodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide
SMILESC=C(C)C(=O)OCCOCC[N+](C)(C)CCCCCCCCCCCC.[I-]
InChIInChI=1S/C22H44NO3.HI/c1-6-7-8-9-10-11-12-13-14-15-16-23(4,5)17-18-25-19-20-26-22(24)21(2)3;/h2,6-20H2,1,3-5H3;1H/q+1;/p-1
InChIKeyTYQDQBXVETURIN-UHFFFAOYSA-M
XLogP2.12
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.50
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze dodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide 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

dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 15616472
dimethyl-(2-methylprop-2-enoyloxymethyl)-octylazanium chloride
CID 139894451
butyl-dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]azanium
CID 139894446
2-[2-[2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 102117026
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;tridecane
CID 87383190
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 22247396
dodecyl-[2-(2-methylprop-2-enoyloxy)ethyl]-dioctylazanium
CID 172690680
12-octoxydodecyl 2-methylprop-2-enoate
CID 139797904
5-pentoxypentyl 2-methylprop-2-enoate
CID 139797922
10-pentoxydecyl 2-methylprop-2-enoate
CID 139797940
hexadecyl-methyl-bis[2-(2-methylprop-2-enoyloxy)ethyl]azanium bromide
CID 141375181
dimethyl-[3-(2-methylprop-2-enoyloxy)propyl]-propylazanium bromide
CID 88686669

Frequently Asked Questions

What is the IUPAC name of dodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide?
The IUPAC name of dodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide (CID 118037814) is dodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide.
What is the SMILES notation for dodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide?
The canonical SMILES for dodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide is C=C(C)C(=O)OCCOCC[N+](C)(C)CCCCCCCCCCCC.[I-].
What is the InChIKey of dodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide?
The InChIKey is TYQDQBXVETURIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H44NO3.HI/c1-6-7-8-9-10-11-12-13-14-15-16-23(4,5)17-18-25-19-20-26-22(24)21(2)3;/h2,6-20H2,1,3-5H3;1H/q+1;/p-1.
What are the key properties of dodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide?
dodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide has a molecular weight of 497.50 g/mol, XLogP of 2.12, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl-dimethyl-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]ethyl]azanium iodide is sourced from PubChem (CID 118037814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).