hexadecyl(trimethyl)azanium hypobromite

C19H42BrNO — CID 165160338

IUPAChexadecyl(trimethyl)azanium hypobromite
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.[O-]Br
InChIInChI=1S/C19H42N.BrO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2/h5-19H2,1-4H3;/q+1;-1
InChIKeyOSFPHXGNDIGRRO-UHFFFAOYSA-N
MW380.46 g/mol
LogP5.83
Rot. Bonds15

About hexadecyl(trimethyl)azanium hypobromite

hexadecyl(trimethyl)azanium hypobromite (PubChem CID 165160338) has the molecular formula C19H42BrNO and a molecular weight of 380.46 g/mol. Its IUPAC name is hexadecyl(trimethyl)azanium hypobromite.

Molecular Properties

Compound Namehexadecyl(trimethyl)azanium hypobromite
PubChem CID165160338
Molecular FormulaC19H42BrNO
Molecular Weight380.46 g/mol
Exact Mass379.24
IUPAC Namehexadecyl(trimethyl)azanium hypobromite
SMILESCCCCCCCCCCCCCCCC[N+](C)(C)C.[O-]Br
InChIInChI=1S/C19H42N.BrO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2/h5-19H2,1-4H3;/q+1;-1
InChIKeyOSFPHXGNDIGRRO-UHFFFAOYSA-N
XLogP5.83
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.46
LogP ≤ 55.83
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

trimethyl(tetradecyl)azanium
CID 14251
trimethyl(pentatriacontyl)azanium
CID 118223294
trimethyl(nonatetracontyl)azanium
CID 118223275
trimethyl(octyl)azanium;trihydrobromide
CID 173358284
dodecyl(trimethyl)azanium;trimethyl(tetradecyl)azanium;dichloride
CID 156699611
trimethyl(pentacontyl)azanium bromide
CID 118223247
hexadecyl(trimethyl)azanium;trihydroiodide
CID 173462414
hexadecyl(trimethyl)azanium;propane
CID 174976794
docosyl(trimethyl)azanium;hexadecyl(trimethyl)azanium;trimethyl(octadecyl)azanium;trichloride
CID 160555820
hexadecyl(trimethyl)azanium;pentane
CID 88632399
dotetracontyl(trimethyl)azanium chloride
CID 141323567
hexatetracontyl(trimethyl)azanium chloride
CID 118223387

Frequently Asked Questions

What is the IUPAC name of hexadecyl(trimethyl)azanium hypobromite?
The IUPAC name of hexadecyl(trimethyl)azanium hypobromite (CID 165160338) is hexadecyl(trimethyl)azanium hypobromite.
What is the SMILES notation for hexadecyl(trimethyl)azanium hypobromite?
The canonical SMILES for hexadecyl(trimethyl)azanium hypobromite is CCCCCCCCCCCCCCCC[N+](C)(C)C.[O-]Br.
What is the InChIKey of hexadecyl(trimethyl)azanium hypobromite?
The InChIKey is OSFPHXGNDIGRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N.BrO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2/h5-19H2,1-4H3;/q+1;-1.
What are the key properties of hexadecyl(trimethyl)azanium hypobromite?
hexadecyl(trimethyl)azanium hypobromite has a molecular weight of 380.46 g/mol, XLogP of 5.83, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecyl(trimethyl)azanium hypobromite is sourced from PubChem (CID 165160338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).