10-tert-butylperoxydecyl(trimethyl)azanium bromide

C17H38BrNO2 — CID 10361662

IUPAC10-tert-butylperoxydecyl(trimethyl)azanium bromide
SMILESCC(C)(C)OOCCCCCCCCCC[N+](C)(C)C.[Br-]
InChIInChI=1S/C17H38NO2.BrH/c1-17(2,3)20-19-16-14-12-10-8-7-9-11-13-15-18(4,5)6;/h7-16H2,1-6H3;1H/q+1;/p-1
InChIKeySIGFKGKZPCUGDJ-UHFFFAOYSA-M
MW368.40 g/mol
LogP1.56
Rot. Bonds12

About 10-tert-butylperoxydecyl(trimethyl)azanium bromide

10-tert-butylperoxydecyl(trimethyl)azanium bromide (PubChem CID 10361662) has the molecular formula C17H38BrNO2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 10-tert-butylperoxydecyl(trimethyl)azanium bromide.

Molecular Properties

Compound Name10-tert-butylperoxydecyl(trimethyl)azanium bromide
PubChem CID10361662
Molecular FormulaC17H38BrNO2
Molecular Weight368.40 g/mol
Exact Mass367.21
IUPAC Name10-tert-butylperoxydecyl(trimethyl)azanium bromide
SMILESCC(C)(C)OOCCCCCCCCCC[N+](C)(C)C.[Br-]
InChIInChI=1S/C17H38NO2.BrH/c1-17(2,3)20-19-16-14-12-10-8-7-9-11-13-15-18(4,5)6;/h7-16H2,1-6H3;1H/q+1;/p-1
InChIKeySIGFKGKZPCUGDJ-UHFFFAOYSA-M
XLogP1.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 10-tert-butylperoxydecyl(trimethyl)azanium bromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butylperoxy-10,10-dimethylundecane
CID 150329885
trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
CID 10921
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
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
1-tert-butylperoxyhexane;sulfino hydrogen sulfite
CID 175112722
14,14-dimethylpentadecyl(trimethyl)azanium
CID 141484398
1-tert-butylperoxy-4-methylpentane
CID 154132694
trimethyl-[4-(trimethylazaniumyl)butyl]azanium dihydroxide
CID 12712148
trimethyl(pentacontyl)azanium bromide
CID 118223247
N-(3-tert-butylperoxypropyl)hydroxylamine
CID 146292978

Frequently Asked Questions

What is the IUPAC name of 10-tert-butylperoxydecyl(trimethyl)azanium bromide?
The IUPAC name of 10-tert-butylperoxydecyl(trimethyl)azanium bromide (CID 10361662) is 10-tert-butylperoxydecyl(trimethyl)azanium bromide.
What is the SMILES notation for 10-tert-butylperoxydecyl(trimethyl)azanium bromide?
The canonical SMILES for 10-tert-butylperoxydecyl(trimethyl)azanium bromide is CC(C)(C)OOCCCCCCCCCC[N+](C)(C)C.[Br-].
What is the InChIKey of 10-tert-butylperoxydecyl(trimethyl)azanium bromide?
The InChIKey is SIGFKGKZPCUGDJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H38NO2.BrH/c1-17(2,3)20-19-16-14-12-10-8-7-9-11-13-15-18(4,5)6;/h7-16H2,1-6H3;1H/q+1;/p-1.
What are the key properties of 10-tert-butylperoxydecyl(trimethyl)azanium bromide?
10-tert-butylperoxydecyl(trimethyl)azanium bromide has a molecular weight of 368.40 g/mol, XLogP of 1.56, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-tert-butylperoxydecyl(trimethyl)azanium bromide is sourced from PubChem (CID 10361662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).