trimethyl(16-oxohexadecyl)azanium

C19H40NO+ — CID 177225514

IUPACtrimethyl(16-oxohexadecyl)azanium
SMILESC[N+](C)(C)CCCCCCCCCCCCCCCC=O
InChIInChI=1S/C19H40NO/c1-20(2,3)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21/h19H,4-18H2,1-3H3/q+1
InChIKeyVYXRKSYFBSEUBB-UHFFFAOYSA-N
MW298.54 g/mol
LogP5.35
Rot. Bonds16

About trimethyl(16-oxohexadecyl)azanium

trimethyl(16-oxohexadecyl)azanium (PubChem CID 177225514) has the molecular formula C19H40NO+ and a molecular weight of 298.54 g/mol. Its IUPAC name is trimethyl(16-oxohexadecyl)azanium.

Molecular Properties

Compound Nametrimethyl(16-oxohexadecyl)azanium
PubChem CID177225514
Molecular FormulaC19H40NO+
Molecular Weight298.54 g/mol
Exact Mass298.31
IUPAC Nametrimethyl(16-oxohexadecyl)azanium
SMILESC[N+](C)(C)CCCCCCCCCCCCCCCC=O
InChIInChI=1S/C19H40NO/c1-20(2,3)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21/h19H,4-18H2,1-3H3/q+1
InChIKeyVYXRKSYFBSEUBB-UHFFFAOYSA-N
XLogP5.35
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.54
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

trimethyl(6-oxohexyl)azanium
CID 57072310
trimethyl(5-oxopentyl)azanium chloride
CID 87319360
diethyl-methyl-(10-oxodecyl)azanium iodide
CID 71393760
trimethyl-[20-(trimethylazaniumyl)icosyl]azanium
CID 10318705
pentadecanedial
CID 22887412
dimethyl-(6-oxohexyl)-prop-2-enylazanium
CID 169160145
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
trimethyl-[10-(trimethylazaniumyl)decyl]azanium dibromide
CID 10921
trimethyl-[(E)-oct-6-enyl]azanium
CID 102116303
trimethyl(nonyl)azanium formate
CID 87856984

Frequently Asked Questions

What is the IUPAC name of trimethyl(16-oxohexadecyl)azanium?
The IUPAC name of trimethyl(16-oxohexadecyl)azanium (CID 177225514) is trimethyl(16-oxohexadecyl)azanium.
What is the SMILES notation for trimethyl(16-oxohexadecyl)azanium?
The canonical SMILES for trimethyl(16-oxohexadecyl)azanium is C[N+](C)(C)CCCCCCCCCCCCCCCC=O.
What is the InChIKey of trimethyl(16-oxohexadecyl)azanium?
The InChIKey is VYXRKSYFBSEUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40NO/c1-20(2,3)18-16-14-12-10-8-6-4-5-7-9-11-13-15-17-19-21/h19H,4-18H2,1-3H3/q+1.
What are the key properties of trimethyl(16-oxohexadecyl)azanium?
trimethyl(16-oxohexadecyl)azanium has a molecular weight of 298.54 g/mol, XLogP of 5.35, 16 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(16-oxohexadecyl)azanium is sourced from PubChem (CID 177225514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).