di(octan-2-yloxy)-oxoazanium

C16H34NO3+ — CID 57229346

IUPACdi(octan-2-yloxy)-oxoazanium
SMILESCCCCCCC(C)O[N+](=O)OC(C)CCCCCC
InChIInChI=1S/C16H34NO3/c1-5-7-9-11-13-15(3)19-17(18)20-16(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3/q+1
InChIKeyLUABCCYBMXJSGO-UHFFFAOYSA-N
MW288.45 g/mol
LogP5.35
Rot. Bonds14

About di(octan-2-yloxy)-oxoazanium

di(octan-2-yloxy)-oxoazanium (PubChem CID 57229346) has the molecular formula C16H34NO3+ and a molecular weight of 288.45 g/mol. Its IUPAC name is di(octan-2-yloxy)-oxoazanium.

Molecular Properties

Compound Namedi(octan-2-yloxy)-oxoazanium
PubChem CID57229346
Molecular FormulaC16H34NO3+
Molecular Weight288.45 g/mol
Exact Mass288.25
IUPAC Namedi(octan-2-yloxy)-oxoazanium
SMILESCCCCCCC(C)O[N+](=O)OC(C)CCCCCC
InChIInChI=1S/C16H34NO3/c1-5-7-9-11-13-15(3)19-17(18)20-16(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3/q+1
InChIKeyLUABCCYBMXJSGO-UHFFFAOYSA-N
XLogP5.35
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.45
LogP ≤ 55.35
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

di(heptan-2-yloxy)-oxoazanium
CID 57155289
(6S)-6-methylnonadecane
CID 170848379
13,23-dimethylhexatriacontane
CID 6430392
15-methylhentriacontane
CID 6430031
6-methyloctacosane
CID 22223942
6-methylheptacosane
CID 22223776
15-methylhexatriacontane
CID 86002594
10,16-dimethyldotriacontane
CID 91748795
27-methyltripentacontane
CID 91450521
8,13-dimethyloctacosane
CID 71323274
15-methyldotriacontane
CID 54168480
20-methyltetracontane
CID 20659070

Frequently Asked Questions

What is the IUPAC name of di(octan-2-yloxy)-oxoazanium?
The IUPAC name of di(octan-2-yloxy)-oxoazanium (CID 57229346) is di(octan-2-yloxy)-oxoazanium.
What is the SMILES notation for di(octan-2-yloxy)-oxoazanium?
The canonical SMILES for di(octan-2-yloxy)-oxoazanium is CCCCCCC(C)O[N+](=O)OC(C)CCCCCC.
What is the InChIKey of di(octan-2-yloxy)-oxoazanium?
The InChIKey is LUABCCYBMXJSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34NO3/c1-5-7-9-11-13-15(3)19-17(18)20-16(4)14-12-10-8-6-2/h15-16H,5-14H2,1-4H3/q+1.
What are the key properties of di(octan-2-yloxy)-oxoazanium?
di(octan-2-yloxy)-oxoazanium has a molecular weight of 288.45 g/mol, XLogP of 5.35, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(octan-2-yloxy)-oxoazanium is sourced from PubChem (CID 57229346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).