acetyloxy-ethyl-dimethylazanium

C6H14NO2+ — CID 147551932

IUPACacetyloxy-ethyl-dimethylazanium
SMILESCC[N+](C)(C)OC(C)=O
InChIInChI=1S/C6H14NO2/c1-5-7(3,4)9-6(2)8/h5H2,1-4H3/q+1
InChIKeyPZBWUEANGLRYJM-UHFFFAOYSA-N
MW132.18 g/mol
LogP0.56
Rot. Bonds2

About acetyloxy-ethyl-dimethylazanium

acetyloxy-ethyl-dimethylazanium (PubChem CID 147551932) has the molecular formula C6H14NO2+ and a molecular weight of 132.18 g/mol. Its IUPAC name is acetyloxy-ethyl-dimethylazanium.

Molecular Properties

Compound Nameacetyloxy-ethyl-dimethylazanium
PubChem CID147551932
Molecular FormulaC6H14NO2+
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Nameacetyloxy-ethyl-dimethylazanium
SMILESCC[N+](C)(C)OC(C)=O
InChIInChI=1S/C6H14NO2/c1-5-7(3,4)9-6(2)8/h5H2,1-4H3/q+1
InChIKeyPZBWUEANGLRYJM-UHFFFAOYSA-N
XLogP0.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(ethyl-dimethyl-(2-methylprop-2-enoyloxy)azanium);sulfate
CID 156858936
acetyl propanoate;copper
CID 174868474
diacetyloxysilyl acetate;triethyl(methyl)azanium
CID 173168516
acetyl acetate;1,2-dichloroethane
CID 161071038
CID 157409555
CID 157409555
2-acetyloxyethoxycarbonyl-ethyl-dimethylazanium
CID 123974119
acetyl propanoate;cobalt
CID 88660334
[acetyloxy(ethyl)alumanyl] acetate
CID 139645372
acetyl acetate;hydrochloride
CID 87138027
acetyl acetate;chromium(2+)
CID 19978523
copper;methyl acetate
CID 174340034
CID 160689228
CID 160689228

Frequently Asked Questions

What is the IUPAC name of acetyloxy-ethyl-dimethylazanium?
The IUPAC name of acetyloxy-ethyl-dimethylazanium (CID 147551932) is acetyloxy-ethyl-dimethylazanium.
What is the SMILES notation for acetyloxy-ethyl-dimethylazanium?
The canonical SMILES for acetyloxy-ethyl-dimethylazanium is CC[N+](C)(C)OC(C)=O.
What is the InChIKey of acetyloxy-ethyl-dimethylazanium?
The InChIKey is PZBWUEANGLRYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO2/c1-5-7(3,4)9-6(2)8/h5H2,1-4H3/q+1.
What are the key properties of acetyloxy-ethyl-dimethylazanium?
acetyloxy-ethyl-dimethylazanium has a molecular weight of 132.18 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy-ethyl-dimethylazanium is sourced from PubChem (CID 147551932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).