hexyl-(2-methoxyethyl)-dimethylazanium

C11H26NO+ — CID 86100928

IUPAChexyl-(2-methoxyethyl)-dimethylazanium
SMILESCCCCCC[N+](C)(C)CCOC
InChIInChI=1S/C11H26NO/c1-5-6-7-8-9-12(2,3)10-11-13-4/h5-11H2,1-4H3/q+1
InChIKeyUURUDZHSESGPHR-UHFFFAOYSA-N
MW188.33 g/mol
LogP2.29
Rot. Bonds8

About hexyl-(2-methoxyethyl)-dimethylazanium

hexyl-(2-methoxyethyl)-dimethylazanium (PubChem CID 86100928) has the molecular formula C11H26NO+ and a molecular weight of 188.33 g/mol. Its IUPAC name is hexyl-(2-methoxyethyl)-dimethylazanium.

Molecular Properties

Compound Namehexyl-(2-methoxyethyl)-dimethylazanium
PubChem CID86100928
Molecular FormulaC11H26NO+
Molecular Weight188.33 g/mol
Exact Mass188.20
IUPAC Namehexyl-(2-methoxyethyl)-dimethylazanium
SMILESCCCCCC[N+](C)(C)CCOC
InChIInChI=1S/C11H26NO/c1-5-6-7-8-9-12(2,3)10-11-13-4/h5-11H2,1-4H3/q+1
InChIKeyUURUDZHSESGPHR-UHFFFAOYSA-N
XLogP2.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

hexyl-(2-methoxyethyl)-dimethylazanium bromide
CID 86100927
icosyl-[6-[icosyl(dimethyl)azaniumyl]hexyl]-dimethylazanium
CID 154725315
heptyl-dimethyl-undecylazanium
CID 122480849
decyl-dimethyl-tetradecylazanium
CID 13075680
decyl-hexadecyl-dimethylazanium
CID 102585787
dimethyl-octadecyl-tricosylazanium
CID 158669819
decyl-[4-[decyl(dimethyl)azaniumyl]butyl]-dimethylazanium
CID 12958280
decyl-[12-[decyl(dimethyl)azaniumyl]dodecyl]-dimethylazanium
CID 12958288
decyl-heptadecyl-dimethylazanium
CID 22158969
dodecyl-dimethyl-undecylazanium
CID 21491028
decyl-[5-[decyl(dimethyl)azaniumyl]pentyl]-dimethylazanium
CID 12958282
dimethyl-pentyl-tridecylazanium
CID 160884159

Frequently Asked Questions

What is the IUPAC name of hexyl-(2-methoxyethyl)-dimethylazanium?
The IUPAC name of hexyl-(2-methoxyethyl)-dimethylazanium (CID 86100928) is hexyl-(2-methoxyethyl)-dimethylazanium.
What is the SMILES notation for hexyl-(2-methoxyethyl)-dimethylazanium?
The canonical SMILES for hexyl-(2-methoxyethyl)-dimethylazanium is CCCCCC[N+](C)(C)CCOC.
What is the InChIKey of hexyl-(2-methoxyethyl)-dimethylazanium?
The InChIKey is UURUDZHSESGPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26NO/c1-5-6-7-8-9-12(2,3)10-11-13-4/h5-11H2,1-4H3/q+1.
What are the key properties of hexyl-(2-methoxyethyl)-dimethylazanium?
hexyl-(2-methoxyethyl)-dimethylazanium has a molecular weight of 188.33 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl-(2-methoxyethyl)-dimethylazanium is sourced from PubChem (CID 86100928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).