dodecoxymethyl-tris(2-hydroxyethyl)azanium

C19H42NO4+ — CID 3018618

IUPACdodecoxymethyl-tris(2-hydroxyethyl)azanium
SMILESCCCCCCCCCCCCOC[N+](CCO)(CCO)CCO
InChIInChI=1S/C19H42NO4/c1-2-3-4-5-6-7-8-9-10-11-18-24-19-20(12-15-21,13-16-22)14-17-23/h21-23H,2-19H2,1H3/q+1
InChIKeyRTFMGIDFSSEAGW-UHFFFAOYSA-N
MW348.55 g/mol
LogP2.68
Rot. Bonds19

About dodecoxymethyl-tris(2-hydroxyethyl)azanium

dodecoxymethyl-tris(2-hydroxyethyl)azanium (PubChem CID 3018618) has the molecular formula C19H42NO4+ and a molecular weight of 348.55 g/mol. Its IUPAC name is dodecoxymethyl-tris(2-hydroxyethyl)azanium.

Molecular Properties

Compound Namedodecoxymethyl-tris(2-hydroxyethyl)azanium
PubChem CID3018618
Molecular FormulaC19H42NO4+
Molecular Weight348.55 g/mol
Exact Mass348.31
IUPAC Namedodecoxymethyl-tris(2-hydroxyethyl)azanium
SMILESCCCCCCCCCCCCOC[N+](CCO)(CCO)CCO
InChIInChI=1S/C19H42NO4/c1-2-3-4-5-6-7-8-9-10-11-18-24-19-20(12-15-21,13-16-22)14-17-23/h21-23H,2-19H2,1H3/q+1
InChIKeyRTFMGIDFSSEAGW-UHFFFAOYSA-N
XLogP2.68
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.55
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

bis(2-hydroxyethyl)-bis(2-tetradecoxyethyl)azanium
CID 101163800
bis(2-dodecoxyethyl)-bis(2-hydroxyethyl)azanium
CID 101163799
hexoxymethyl-(2-hydroxyethyl)-dimethylazanium chloride
CID 11299429
dodecoxymethyl-(3-hydroxypropyl)-dimethylazanium chloride
CID 11382153
ethane-1,2-diol;1-pentoxyheptane
CID 175114778
dodecyl-bis(2-hydroxyethyl)-octylazanium
CID 23220556
decyl-dimethyl-(octoxymethyl)azanium
CID 10406436
2-dodecoxyethyl-bis(2-hydroxyethyl)-methylazanium
CID 139716436
dodecyl-dimethyl-(nonoxymethyl)azanium chloride
CID 3025992
hexyl-(2-hydroxyethyl)-dipentylazanium iodide
CID 139955217
tridodecyl(2-hydroxyethyl)azanium bromide
CID 19925944
tridodecyl(2-hydroxyethyl)azanium chloride
CID 19925946

Frequently Asked Questions

What is the IUPAC name of dodecoxymethyl-tris(2-hydroxyethyl)azanium?
The IUPAC name of dodecoxymethyl-tris(2-hydroxyethyl)azanium (CID 3018618) is dodecoxymethyl-tris(2-hydroxyethyl)azanium.
What is the SMILES notation for dodecoxymethyl-tris(2-hydroxyethyl)azanium?
The canonical SMILES for dodecoxymethyl-tris(2-hydroxyethyl)azanium is CCCCCCCCCCCCOC[N+](CCO)(CCO)CCO.
What is the InChIKey of dodecoxymethyl-tris(2-hydroxyethyl)azanium?
The InChIKey is RTFMGIDFSSEAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42NO4/c1-2-3-4-5-6-7-8-9-10-11-18-24-19-20(12-15-21,13-16-22)14-17-23/h21-23H,2-19H2,1H3/q+1.
What are the key properties of dodecoxymethyl-tris(2-hydroxyethyl)azanium?
dodecoxymethyl-tris(2-hydroxyethyl)azanium has a molecular weight of 348.55 g/mol, XLogP of 2.68, 19 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecoxymethyl-tris(2-hydroxyethyl)azanium is sourced from PubChem (CID 3018618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).