16-hydroxyhexadecyl(trimethyl)azanium bromide

C19H42BrNO — CID 10762327

IUPAC16-hydroxyhexadecyl(trimethyl)azanium bromide
SMILESC[N+](C)(C)CCCCCCCCCCCCCCCCO.[Br-]
InChIInChI=1S/C19H42NO.BrH/c1-20(2,3)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21;/h21H,4-19H2,1-3H3;1H/q+1;/p-1
InChIKeyRZXAMLPUHUJYPH-UHFFFAOYSA-M
MW380.46 g/mol
LogP2.15
Rot. Bonds16

About 16-hydroxyhexadecyl(trimethyl)azanium bromide

16-hydroxyhexadecyl(trimethyl)azanium bromide (PubChem CID 10762327) has the molecular formula C19H42BrNO and a molecular weight of 380.46 g/mol. Its IUPAC name is 16-hydroxyhexadecyl(trimethyl)azanium bromide.

Molecular Properties

Compound Name16-hydroxyhexadecyl(trimethyl)azanium bromide
PubChem CID10762327
Molecular FormulaC19H42BrNO
Molecular Weight380.46 g/mol
Exact Mass379.24
IUPAC Name16-hydroxyhexadecyl(trimethyl)azanium bromide
SMILESC[N+](C)(C)CCCCCCCCCCCCCCCCO.[Br-]
InChIInChI=1S/C19H42NO.BrH/c1-20(2,3)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21;/h21H,4-19H2,1-3H3;1H/q+1;/p-1
InChIKeyRZXAMLPUHUJYPH-UHFFFAOYSA-M
XLogP2.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
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

18-hydroxyoctadecyl(trimethyl)azanium;hydrobromide
CID 163969150
4-hydroxybutyl(trimethyl)azanium hydroxide
CID 13115255
trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
CID 10921
3-hydroxypropyl(trimethyl)azanium;hydrochloride
CID 88716804
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
dodecyl(trimethyl)azanium;ethanol;bromide
CID 161248907
hexyl(trimethyl)azanium;pentan-1-ol;prop-1-ene
CID 174584647
trimethyl-[5-(trimethylazaniumyl)pentyl]azanium diiodide
CID 21353
tetrakis(trimethyl-[10-(trimethylazaniumyl)decyl]azanium);octaiodide
CID 173060606
trimethyl-[22-(trimethylazaniumyl)docosyl]azanium dichloride
CID 71335073
3-hydroxypropyl-[6-[3-hydroxypropyl(dimethyl)azaniumyl]hexyl]-dimethylazanium dibromide
CID 24833340
6-hydroxyhexyl-[3-[6-hydroxyhexyl(dimethyl)azaniumyl]propyl]-dimethylazanium
CID 100915764

Frequently Asked Questions

What is the IUPAC name of 16-hydroxyhexadecyl(trimethyl)azanium bromide?
The IUPAC name of 16-hydroxyhexadecyl(trimethyl)azanium bromide (CID 10762327) is 16-hydroxyhexadecyl(trimethyl)azanium bromide.
What is the SMILES notation for 16-hydroxyhexadecyl(trimethyl)azanium bromide?
The canonical SMILES for 16-hydroxyhexadecyl(trimethyl)azanium bromide is C[N+](C)(C)CCCCCCCCCCCCCCCCO.[Br-].
What is the InChIKey of 16-hydroxyhexadecyl(trimethyl)azanium bromide?
The InChIKey is RZXAMLPUHUJYPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H42NO.BrH/c1-20(2,3)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21;/h21H,4-19H2,1-3H3;1H/q+1;/p-1.
What are the key properties of 16-hydroxyhexadecyl(trimethyl)azanium bromide?
16-hydroxyhexadecyl(trimethyl)azanium bromide has a molecular weight of 380.46 g/mol, XLogP of 2.15, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxyhexadecyl(trimethyl)azanium bromide is sourced from PubChem (CID 10762327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).