2-acetyloxyethyl-dimethyl-pentylazanium

C11H24NO2+ — CID 71364720

IUPAC2-acetyloxyethyl-dimethyl-pentylazanium
SMILESCCCCC[N+](C)(C)CCOC(C)=O
InChIInChI=1S/C11H24NO2/c1-5-6-7-8-12(3,4)9-10-14-11(2)13/h5-10H2,1-4H3/q+1
InChIKeyQGCRLJFQIDNSQY-UHFFFAOYSA-N
MW202.32 g/mol
LogP1.82
Rot. Bonds7

About 2-acetyloxyethyl-dimethyl-pentylazanium

2-acetyloxyethyl-dimethyl-pentylazanium (PubChem CID 71364720) has the molecular formula C11H24NO2+ and a molecular weight of 202.32 g/mol. Its IUPAC name is 2-acetyloxyethyl-dimethyl-pentylazanium.

Molecular Properties

Compound Name2-acetyloxyethyl-dimethyl-pentylazanium
PubChem CID71364720
Molecular FormulaC11H24NO2+
Molecular Weight202.32 g/mol
Exact Mass202.18
IUPAC Name2-acetyloxyethyl-dimethyl-pentylazanium
SMILESCCCCC[N+](C)(C)CCOC(C)=O
InChIInChI=1S/C11H24NO2/c1-5-6-7-8-12(3,4)9-10-14-11(2)13/h5-10H2,1-4H3/q+1
InChIKeyQGCRLJFQIDNSQY-UHFFFAOYSA-N
XLogP1.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-acetyloxyethyl-dimethyl-tetradecylazanium bromide
CID 14625468
2-acetyloxyethyl-[10-[2-acetyloxyethyl(dimethyl)azaniumyl]decyl]-dimethylazanium bromide
CID 54611939
dodecyl-[2-[2-[dodecyl(dimethyl)azaniumyl]ethoxycarbonyloxy]ethyl]-dimethylazanium
CID 102200373
dodecyl-dimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium
CID 15616472
2-[7-[2-[dimethyl(octyl)azaniumyl]ethoxy]-7-oxoheptanoyl]oxyethyl-dimethyl-octylazanium
CID 10259092
hexadecyl-[2-[9-[2-[hexadecyl(dimethyl)azaniumyl]ethoxy]-9-oxononanoyl]oxyethyl]-dimethylazanium
CID 11766379
bis(2-acetyloxyethyl-[12-[1-[12-[2-acetyloxyethyl(dimethyl)azaniumyl]dodecanoyloxy]hexadecoxy]-12-oxododecyl]-dimethylazanium);tribromide;chloride
CID 159382151
dodecyl-[2-[10-[2-[dodecyl(dimethyl)azaniumyl]ethoxy]-10-oxodecanoyl]oxyethyl]-dimethylazanium dibromide
CID 10440557
2-[6-[2-[dimethyl(tetradecyl)azaniumyl]ethoxy]-6-oxohexanoyl]oxyethyl-dimethyl-tetradecylazanium dibromide
CID 10259942
dimethyl-[2-(3-methylbutanoyloxy)ethyl]-pentylazanium
CID 123351545
hexadecyl-[2-[8-[2-[hexadecyl(dimethyl)azaniumyl]ethoxy]-8-oxooctanoyl]oxyethyl]-dimethylazanium dichloride
CID 175686305
dodecyl-dimethyl-[2-(2-sulfanylacetyl)oxyethyl]azanium
CID 102448520

Frequently Asked Questions

What is the IUPAC name of 2-acetyloxyethyl-dimethyl-pentylazanium?
The IUPAC name of 2-acetyloxyethyl-dimethyl-pentylazanium (CID 71364720) is 2-acetyloxyethyl-dimethyl-pentylazanium.
What is the SMILES notation for 2-acetyloxyethyl-dimethyl-pentylazanium?
The canonical SMILES for 2-acetyloxyethyl-dimethyl-pentylazanium is CCCCC[N+](C)(C)CCOC(C)=O.
What is the InChIKey of 2-acetyloxyethyl-dimethyl-pentylazanium?
The InChIKey is QGCRLJFQIDNSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24NO2/c1-5-6-7-8-12(3,4)9-10-14-11(2)13/h5-10H2,1-4H3/q+1.
What are the key properties of 2-acetyloxyethyl-dimethyl-pentylazanium?
2-acetyloxyethyl-dimethyl-pentylazanium has a molecular weight of 202.32 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyloxyethyl-dimethyl-pentylazanium is sourced from PubChem (CID 71364720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).