hydron;oxophosphane;tetrabutylazanium

C16H38NOP+2 — CID 174884742

IUPAChydron;oxophosphane;tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.O=P.[H+]
InChIInChI=1S/C16H36N.HOP/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2/h5-16H2,1-4H3;2H/q+1;/p+1
InChIKeyIKKIJOHVJDSSEU-UHFFFAOYSA-O
MW291.46 g/mol
LogP5.59
Rot. Bonds12

About hydron;oxophosphane;tetrabutylazanium

hydron;oxophosphane;tetrabutylazanium (PubChem CID 174884742) has the molecular formula C16H38NOP+2 and a molecular weight of 291.46 g/mol. Its IUPAC name is hydron;oxophosphane;tetrabutylazanium.

Molecular Properties

Compound Namehydron;oxophosphane;tetrabutylazanium
PubChem CID174884742
Molecular FormulaC16H38NOP+2
Molecular Weight291.46 g/mol
Exact Mass291.27
IUPAC Namehydron;oxophosphane;tetrabutylazanium
SMILESCCCC[N+](CCCC)(CCCC)CCCC.O=P.[H+]
InChIInChI=1S/C16H36N.HOP/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2/h5-16H2,1-4H3;2H/q+1;/p+1
InChIKeyIKKIJOHVJDSSEU-UHFFFAOYSA-O
XLogP5.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.46
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

hydron;tetrabutylazanium;diiodide
CID 173281455
hydron;tetrabutylazanium;sulfide
CID 87064104
hydron;tetrabutylazanium;hydrobromide
CID 173127393
tetrabutylazanium;pentahydrate
CID 173386676
tetrabutylazanium hydroxide
CID 2723671
butyl(tripentyl)azanium
CID 14022644
dodecane;tetrabutylazanium
CID 173225937
hydron;phosphorososilane;tetrabutylazanium
CID 174875707
silane;tetrabutylazanium;fluoride
CID 174896730
tributyl(hexadecyl)azanium
CID 3083031
tetrabutylazanium;fluoride;dihydrate
CID 22343550
tetrabutylazanium;chloride;hydrobromide
CID 160850218

Frequently Asked Questions

What is the IUPAC name of hydron;oxophosphane;tetrabutylazanium?
The IUPAC name of hydron;oxophosphane;tetrabutylazanium (CID 174884742) is hydron;oxophosphane;tetrabutylazanium.
What is the SMILES notation for hydron;oxophosphane;tetrabutylazanium?
The canonical SMILES for hydron;oxophosphane;tetrabutylazanium is CCCC[N+](CCCC)(CCCC)CCCC.O=P.[H+].
What is the InChIKey of hydron;oxophosphane;tetrabutylazanium?
The InChIKey is IKKIJOHVJDSSEU-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H36N.HOP/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-2/h5-16H2,1-4H3;2H/q+1;/p+1.
What are the key properties of hydron;oxophosphane;tetrabutylazanium?
hydron;oxophosphane;tetrabutylazanium has a molecular weight of 291.46 g/mol, XLogP of 5.59, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;oxophosphane;tetrabutylazanium is sourced from PubChem (CID 174884742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).