hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride

C11H26ClNO2 — CID 11299429

IUPAChexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride
SMILESCCCCCCOC[N+](C)(C)CCO.[Cl-]
InChIInChI=1S/C11H26NO2.ClH/c1-4-5-6-7-10-14-11-12(2,3)8-9-13;/h13H,4-11H2,1-3H3;1H/q+1;/p-1
InChIKeySYLKWDKTRPKWFE-UHFFFAOYSA-M
MW239.79 g/mol
LogP-1.39
Rot. Bonds9

About hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride

hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride (PubChem CID 11299429) has the molecular formula C11H26ClNO2 and a molecular weight of 239.79 g/mol. Its IUPAC name is hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride.

Molecular Properties

Compound Namehexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride
PubChem CID11299429
Molecular FormulaC11H26ClNO2
Molecular Weight239.79 g/mol
Exact Mass239.17
IUPAC Namehexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride
SMILESCCCCCCOC[N+](C)(C)CCO.[Cl-]
InChIInChI=1S/C11H26NO2.ClH/c1-4-5-6-7-10-14-11-12(2,3)8-9-13;/h13H,4-11H2,1-3H3;1H/q+1;/p-1
InChIKeySYLKWDKTRPKWFE-UHFFFAOYSA-M
XLogP-1.39
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.79
LogP ≤ 5-1.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride
CID 11382153
dodecyl-dimethyl-(nonoxymethyl)azanium chloride
CID 3025992
dodecoxymethyl-tris(2-hydroxyethyl)azanium
CID 3018618
decyl-dimethyl-(octoxymethyl)azanium
CID 10406436
butoxymethyl-decyl-dimethylazanium
CID 10494975
2-dodecoxyethyl-bis(2-hydroxyethyl)-methylazanium
CID 139716436
dimethyl-octyl-(propoxymethyl)azanium chloride
CID 10825613
2-hydroxypropyl-dimethyl-(octoxymethyl)azanium
CID 11448914
2-hydroxypropyl-dimethyl-(octadecoxymethyl)azanium
CID 11235536
bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium
CID 101163799
bis(2-hydroxyethyl)-bis(2-tetradecoxyethyl)azanium
CID 101163800
bis(decyl-(2-hydroxyethyl)-dimethylazanium);dichloride;hydrobromide
CID 172747329

Frequently Asked Questions

What is the IUPAC name of hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride?
The IUPAC name of hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride (CID 11299429) is hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride.
What is the SMILES notation for hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride?
The canonical SMILES for hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride is CCCCCCOC[N+](C)(C)CCO.[Cl-].
What is the InChIKey of hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride?
The InChIKey is SYLKWDKTRPKWFE-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H26NO2.ClH/c1-4-5-6-7-10-14-11-12(2,3)8-9-13;/h13H,4-11H2,1-3H3;1H/q+1;/p-1.
What are the key properties of hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride?
hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride has a molecular weight of 239.79 g/mol, XLogP of -1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride is sourced from PubChem (CID 11299429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).