hydroxy-octyl-oxophosphanium;nickel

C8H18NiO2P+ — CID 87136142

IUPAChydroxy-octyl-oxophosphanium;nickel
SMILESCCCCCCCC[P+](=O)O.[Ni]
InChIInChI=1S/C8H17O2P.Ni/c1-2-3-4-5-6-7-8-11(9)10;/h2-8H2,1H3;/p+1
InChIKeyLPPPMCWREXBEHB-UHFFFAOYSA-O
MW235.90 g/mol
LogP3.08
Rot. Bonds7

About hydroxy-octyl-oxophosphanium;nickel

hydroxy-octyl-oxophosphanium;nickel (PubChem CID 87136142) has the molecular formula C8H18NiO2P+ and a molecular weight of 235.90 g/mol. Its IUPAC name is hydroxy-octyl-oxophosphanium;nickel.

Molecular Properties

Compound Namehydroxy-octyl-oxophosphanium;nickel
PubChem CID87136142
Molecular FormulaC8H18NiO2P+
Molecular Weight235.90 g/mol
Exact Mass235.04
IUPAC Namehydroxy-octyl-oxophosphanium;nickel
SMILESCCCCCCCC[P+](=O)O.[Ni]
InChIInChI=1S/C8H17O2P.Ni/c1-2-3-4-5-6-7-8-11(9)10;/h2-8H2,1H3;/p+1
InChIKeyLPPPMCWREXBEHB-UHFFFAOYSA-O
XLogP3.08
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.90
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

chromium;hydroxy-[(Z)-octadec-9-enyl]-oxophosphanium
CID 87139944
dihydroxy(oxo)phosphanium;dodecane
CID 18620358
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
benzene;dihydroxy(oxo)phosphanium;bis(nonane)
CID 68789249
hydroxy-oxo-propylphosphanium;zinc
CID 87094262
hydroxy-methoxy-oxophosphanium;tetradecane
CID 87604776
dihydroxy(oxo)phosphanium;tridecan-1-ol
CID 174863686
pentakis(decane);hydroxy-methoxy-oxophosphanium
CID 173118526
decan-1-ol;dihydroxy(oxo)phosphanium
CID 162195755
hexane;phosphenous acid
CID 21406649
heptane;nickel
CID 172769107
sodium octadecyl-oxido-oxophosphanium
CID 88687817

Frequently Asked Questions

What is the IUPAC name of hydroxy-octyl-oxophosphanium;nickel?
The IUPAC name of hydroxy-octyl-oxophosphanium;nickel (CID 87136142) is hydroxy-octyl-oxophosphanium;nickel.
What is the SMILES notation for hydroxy-octyl-oxophosphanium;nickel?
The canonical SMILES for hydroxy-octyl-oxophosphanium;nickel is CCCCCCCC[P+](=O)O.[Ni].
What is the InChIKey of hydroxy-octyl-oxophosphanium;nickel?
The InChIKey is LPPPMCWREXBEHB-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H17O2P.Ni/c1-2-3-4-5-6-7-8-11(9)10;/h2-8H2,1H3;/p+1.
What are the key properties of hydroxy-octyl-oxophosphanium;nickel?
hydroxy-octyl-oxophosphanium;nickel has a molecular weight of 235.90 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-octyl-oxophosphanium;nickel is sourced from PubChem (CID 87136142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).