ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride

C9H18ClNO3 — CID 174937508

IUPACethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride
SMILESC=CC(=O)OCC[N+](C)(C)OCC.[Cl-]
InChIInChI=1S/C9H18NO3.ClH/c1-5-9(11)12-8-7-10(3,4)13-6-2;/h5H,1,6-8H2,2-4H3;1H/q+1;/p-1
InChIKeyHIIWWFOHEINDQV-UHFFFAOYSA-M
MW223.70 g/mol
LogP-2.25
Rot. Bonds6

About ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride

ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride (PubChem CID 174937508) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride.

Molecular Properties

Compound Nameethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride
PubChem CID174937508
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Nameethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride
SMILESC=CC(=O)OCC[N+](C)(C)OCC.[Cl-]
InChIInChI=1S/C9H18NO3.ClH/c1-5-9(11)12-8-7-10(3,4)13-6-2;/h5H,1,6-8H2,2-4H3;1H/q+1;/p-1
InChIKeyHIIWWFOHEINDQV-UHFFFAOYSA-M
XLogP-2.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 5-2.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide
CID 86070106
ethyl prop-2-enoate;sulfane
CID 157093783
sulfuric acid;trimethyl(2-prop-2-enoyloxyethyl)azanium
CID 87436586
diethyl-methyl-(4-prop-2-enoyloxybutyl)azanium
CID 54323618
decyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium
CID 45270101
ethyl prop-2-enoate;ethyl(trimethyl)azanium
CID 175893941
dimethyl-[3-(2-oxobutanoyloxy)propyl]-(2-prop-2-enoyloxyethyl)azanium
CID 57154510
azanium;trimethyl(2-prop-2-enoyloxyethyl)azanium;sulfate
CID 172833896
ethoxy-methyl-prop-2-enoyloxy-propylazanium chloride
CID 174456645
methyl-di(nonyl)-(2-prop-2-enoyloxyethyl)azanium iodide
CID 164853911
dodecyl-ethyl-methyl-(2-prop-2-enoyloxyethyl)azanium
CID 141141400
ethyl-(2-methoxy-2-oxoethyl)-methyl-(2-prop-2-enoyloxyethyl)azanium
CID 145223428

Frequently Asked Questions

What is the IUPAC name of ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride?
The IUPAC name of ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride (CID 174937508) is ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride.
What is the SMILES notation for ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride?
The canonical SMILES for ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride is C=CC(=O)OCC[N+](C)(C)OCC.[Cl-].
What is the InChIKey of ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride?
The InChIKey is HIIWWFOHEINDQV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18NO3.ClH/c1-5-9(11)12-8-7-10(3,4)13-6-2;/h5H,1,6-8H2,2-4H3;1H/q+1;/p-1.
What are the key properties of ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride?
ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride has a molecular weight of 223.70 g/mol, XLogP of -2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-dimethyl-(2-prop-2-enoyloxyethyl)azanium chloride is sourced from PubChem (CID 174937508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).