trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium iodide

C9H18INO2 — CID 520272

IUPACtrimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium iodide
SMILESC=C(C)C(=O)OCC[N+](C)(C)C.[I-]
InChIInChI=1S/C9H18NO2.HI/c1-8(2)9(11)12-7-6-10(3,4)5;/h1,6-7H2,2-5H3;1H/q+1;/p-1
InChIKeyXIXDXIUWZQJVHJ-UHFFFAOYSA-M
MW299.15 g/mol
LogP-2.18
Rot. Bonds4

About trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium iodide

trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium iodide (PubChem CID 520272) has the molecular formula C9H18INO2 and a molecular weight of 299.15 g/mol. Its IUPAC name is trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium iodide.

Molecular Properties

Compound Nametrimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium iodide
PubChem CID520272
Molecular FormulaC9H18INO2
Molecular Weight299.15 g/mol
Exact Mass299.04
IUPAC Nametrimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium iodide
SMILESC=C(C)C(=O)OCC[N+](C)(C)C.[I-]
InChIInChI=1S/C9H18NO2.HI/c1-8(2)9(11)12-7-6-10(3,4)5;/h1,6-7H2,2-5H3;1H/q+1;/p-1
InChIKeyXIXDXIUWZQJVHJ-UHFFFAOYSA-M
XLogP-2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.15
LogP ≤ 5-2.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium iodide?
The IUPAC name of trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium iodide (CID 520272) is trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium iodide.
What is the SMILES notation for trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium iodide?
The canonical SMILES for trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium iodide is C=C(C)C(=O)OCC[N+](C)(C)C.[I-].
What is the InChIKey of trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium iodide?
The InChIKey is XIXDXIUWZQJVHJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18NO2.HI/c1-8(2)9(11)12-7-6-10(3,4)5;/h1,6-7H2,2-5H3;1H/q+1;/p-1.
What are the key properties of trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium iodide?
trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium iodide has a molecular weight of 299.15 g/mol, XLogP of -2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium iodide is sourced from PubChem (CID 520272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).