2-ethenoxyethyl-ethyl-dimethylazanium

C8H18NO+ — CID 86045194

IUPAC2-ethenoxyethyl-ethyl-dimethylazanium
SMILESC=COCC[N+](C)(C)CC
InChIInChI=1S/C8H18NO/c1-5-9(3,4)7-8-10-6-2/h6H,2,5,7-8H2,1,3-4H3/q+1
InChIKeyRRLWXXDUNKZVMZ-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.24
Rot. Bonds5

About 2-ethenoxyethyl-ethyl-dimethylazanium

2-ethenoxyethyl-ethyl-dimethylazanium (PubChem CID 86045194) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is 2-ethenoxyethyl-ethyl-dimethylazanium.

Molecular Properties

Compound Name2-ethenoxyethyl-ethyl-dimethylazanium
PubChem CID86045194
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name2-ethenoxyethyl-ethyl-dimethylazanium
SMILESC=COCC[N+](C)(C)CC
InChIInChI=1S/C8H18NO/c1-5-9(3,4)7-8-10-6-2/h6H,2,5,7-8H2,1,3-4H3/q+1
InChIKeyRRLWXXDUNKZVMZ-UHFFFAOYSA-N
XLogP1.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

2-ethenoxyethyl-(2-hydroxyethyl)-dimethylazanium
CID 54230784
ethyl-dimethyl-(2-prop-2-enoyloxyethyl)azanium iodide
CID 86070106
ethyl-dimethyl-(2-propoxyethyl)azanium
CID 87916189
1,4-bis(ethenoxy)butane;butane
CID 158192522
ethyl-dimethyl-pent-4-enylazanium
CID 139860339
1-ethenoxy-2-methoxyethane
CID 15457
2-(2-ethoxyethoxy)ethyl-ethyl-dimethylazanium chloride
CID 121293209
1-ethenoxy-2-ethoxyethane
CID 14510945
1-ethenoxybutane;hydrate
CID 174447139
ethyl-[4-[ethyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 25995
dec-9-enyl-ethyl-dimethylazanium
CID 129287044
ethanol;1-ethenoxy-2-(2-ethenoxyethoxy)ethane
CID 174885863

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxyethyl-ethyl-dimethylazanium?
The IUPAC name of 2-ethenoxyethyl-ethyl-dimethylazanium (CID 86045194) is 2-ethenoxyethyl-ethyl-dimethylazanium.
What is the SMILES notation for 2-ethenoxyethyl-ethyl-dimethylazanium?
The canonical SMILES for 2-ethenoxyethyl-ethyl-dimethylazanium is C=COCC[N+](C)(C)CC.
What is the InChIKey of 2-ethenoxyethyl-ethyl-dimethylazanium?
The InChIKey is RRLWXXDUNKZVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO/c1-5-9(3,4)7-8-10-6-2/h6H,2,5,7-8H2,1,3-4H3/q+1.
What are the key properties of 2-ethenoxyethyl-ethyl-dimethylazanium?
2-ethenoxyethyl-ethyl-dimethylazanium has a molecular weight of 144.24 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyethyl-ethyl-dimethylazanium is sourced from PubChem (CID 86045194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).