2-ethenoxyethyl-(2-hydroxyethyl)-dimethylazanium

C8H18NO2+ — CID 54230784

IUPAC2-ethenoxyethyl-(2-hydroxyethyl)-dimethylazanium
SMILESC=COCC[N+](C)(C)CCO
InChIInChI=1S/C8H18NO2/c1-4-11-8-6-9(2,3)5-7-10/h4,10H,1,5-8H2,2-3H3/q+1
InChIKeyQJCKCTCHKHWECE-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.22
Rot. Bonds6

About 2-ethenoxyethyl-(2-hydroxyethyl)-dimethylazanium

2-ethenoxyethyl-(2-hydroxyethyl)-dimethylazanium (PubChem CID 54230784) has the molecular formula C8H18NO2+ and a molecular weight of 160.24 g/mol. Its IUPAC name is 2-ethenoxyethyl-(2-hydroxyethyl)-dimethylazanium.

Molecular Properties

Compound Name2-ethenoxyethyl-(2-hydroxyethyl)-dimethylazanium
PubChem CID54230784
Molecular FormulaC8H18NO2+
Molecular Weight160.24 g/mol
Exact Mass160.13
IUPAC Name2-ethenoxyethyl-(2-hydroxyethyl)-dimethylazanium
SMILESC=COCC[N+](C)(C)CCO
InChIInChI=1S/C8H18NO2/c1-4-11-8-6-9(2,3)5-7-10/h4,10H,1,5-8H2,2-3H3/q+1
InChIKeyQJCKCTCHKHWECE-UHFFFAOYSA-N
XLogP0.22
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-dimethylazanium
CID 86045194
bis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium
CID 59861691
2-hydroxyethyl-dimethyl-[2-[2-[2-(prop-2-enoylamino)ethoxy]ethoxy]ethyl]azanium
CID 58085082
acetic acid;2-ethenoxyethanol
CID 71400985
2-hydroxyethyl-[7-[2-hydroxyethyl(dimethyl)azaniumyl]heptyl]-dimethylazanium
CID 153362920
ethanol;1-ethenoxy-2-(2-ethenoxyethoxy)ethane
CID 174885863
14-ethenoxytetradecan-1-ol
CID 139931182
2-[2-[2-(2-ethenoxyethoxy)ethoxy]ethoxy]ethanol
CID 159071028
2-(2-ethenoxyethoxy)ethanol;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159459473
2-hydroxyethyl-dimethyl-[2-(prop-2-enylamino)ethyl]azanium chloride
CID 88626986
4-ethenoxybutan-1-ol;ethenoxyethane
CID 175259302
2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 22833505

Frequently Asked Questions

What is the IUPAC name of 2-ethenoxyethyl-(2-hydroxyethyl)-dimethylazanium?
The IUPAC name of 2-ethenoxyethyl-(2-hydroxyethyl)-dimethylazanium (CID 54230784) is 2-ethenoxyethyl-(2-hydroxyethyl)-dimethylazanium.
What is the SMILES notation for 2-ethenoxyethyl-(2-hydroxyethyl)-dimethylazanium?
The canonical SMILES for 2-ethenoxyethyl-(2-hydroxyethyl)-dimethylazanium is C=COCC[N+](C)(C)CCO.
What is the InChIKey of 2-ethenoxyethyl-(2-hydroxyethyl)-dimethylazanium?
The InChIKey is QJCKCTCHKHWECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18NO2/c1-4-11-8-6-9(2,3)5-7-10/h4,10H,1,5-8H2,2-3H3/q+1.
What are the key properties of 2-ethenoxyethyl-(2-hydroxyethyl)-dimethylazanium?
2-ethenoxyethyl-(2-hydroxyethyl)-dimethylazanium has a molecular weight of 160.24 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenoxyethyl-(2-hydroxyethyl)-dimethylazanium is sourced from PubChem (CID 54230784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).