dihexadecoxy(oxo)azanium

C32H66NO3+ — CID 56986039

IUPACdihexadecoxy(oxo)azanium
SMILESCCCCCCCCCCCCCCCCO[N+](=O)OCCCCCCCCCCCCCCCC
InChIInChI=1S/C32H66NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-33(34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3/q+1
InChIKeyHMKYJRLIHDQCDY-UHFFFAOYSA-N
MW512.88 g/mol
LogP11.59
Rot. Bonds32

About dihexadecoxy(oxo)azanium

dihexadecoxy(oxo)azanium (PubChem CID 56986039) has the molecular formula C32H66NO3+ and a molecular weight of 512.88 g/mol. Its IUPAC name is dihexadecoxy(oxo)azanium.

Molecular Properties

Compound Namedihexadecoxy(oxo)azanium
PubChem CID56986039
Molecular FormulaC32H66NO3+
Molecular Weight512.88 g/mol
Exact Mass512.50
IUPAC Namedihexadecoxy(oxo)azanium
SMILESCCCCCCCCCCCCCCCCO[N+](=O)OCCCCCCCCCCCCCCCC
InChIInChI=1S/C32H66NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-33(34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3/q+1
InChIKeyHMKYJRLIHDQCDY-UHFFFAOYSA-N
XLogP11.59
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.88
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dioctadecoxy(oxo)azanium
CID 57022761
phosphane;tetradecyl nitrate
CID 174825024
dibutoxy(oxo)azanium;2-methyl-2-nitropropane
CID 87328716
bis(16-aminohexadecoxy)-oxoazanium
CID 57149017
decane;ruthenium
CID 160818595
diheptyl hexyl phosphate
CID 175578950
dodecyl dioctyl phosphate
CID 57134013
1-heptoxydocosane
CID 91692957
1-(6-pentadecoxyhexoxy)pentadecane
CID 139884766
1-decoxydocosane
CID 87077677
dodecylmercury;hydrate
CID 78070234
1-dodecoxyhexadecane
CID 22256973

Frequently Asked Questions

What is the IUPAC name of dihexadecoxy(oxo)azanium?
The IUPAC name of dihexadecoxy(oxo)azanium (CID 56986039) is dihexadecoxy(oxo)azanium.
What is the SMILES notation for dihexadecoxy(oxo)azanium?
The canonical SMILES for dihexadecoxy(oxo)azanium is CCCCCCCCCCCCCCCCO[N+](=O)OCCCCCCCCCCCCCCCC.
What is the InChIKey of dihexadecoxy(oxo)azanium?
The InChIKey is HMKYJRLIHDQCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H66NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-33(34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3/q+1.
What are the key properties of dihexadecoxy(oxo)azanium?
dihexadecoxy(oxo)azanium has a molecular weight of 512.88 g/mol, XLogP of 11.59, 32 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihexadecoxy(oxo)azanium is sourced from PubChem (CID 56986039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).