dihydroxy(oxo)phosphanium;bis(hexane);nickel(2+)

C12H28NiO3P+ — CID 158398716

IUPACdihydroxy(oxo)phosphanium;bis(hexane);nickel(2+)
SMILESO=[P+](O)O.[CH2-]CCCCC.[CH2-]CCCCC.[Ni+2]
InChIInChI=1S/2C6H13.Ni.HO3P/c2*1-3-5-6-4-2;;1-4(2)3/h2*1,3-6H2,2H3;;(H-,1,2,3)/q2*-1;+2;/p+1
InChIKeyOCACAGJCMVOGNQ-UHFFFAOYSA-O
MW310.02 g/mol
LogP4.43
Rot. Bonds6

About dihydroxy(oxo)phosphanium;bis(hexane);nickel(2+)

dihydroxy(oxo)phosphanium;bis(hexane);nickel(2+) (PubChem CID 158398716) has the molecular formula C12H28NiO3P+ and a molecular weight of 310.02 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;bis(hexane);nickel(2+).

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;bis(hexane);nickel(2+)
PubChem CID158398716
Molecular FormulaC12H28NiO3P+
Molecular Weight310.02 g/mol
Exact Mass309.11
IUPAC Namedihydroxy(oxo)phosphanium;bis(hexane);nickel(2+)
SMILESO=[P+](O)O.[CH2-]CCCCC.[CH2-]CCCCC.[Ni+2]
InChIInChI=1S/2C6H13.Ni.HO3P/c2*1-3-5-6-4-2;;1-4(2)3/h2*1,3-6H2,2H3;;(H-,1,2,3)/q2*-1;+2;/p+1
InChIKeyOCACAGJCMVOGNQ-UHFFFAOYSA-O
XLogP4.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.02
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 174654761
CID 174654761
dihydroxy(oxo)phosphanium;bis(octadecane)
CID 87485521
dihydroxy(oxo)phosphanium;dodecane
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dioxotitanium;hexadecane;methanol
CID 174976326
benzene;dihydroxy(oxo)phosphanium;bis(nonane)
CID 68789249
hexane;methanol;zirconium
CID 141397985
nonane;zirconium(4+);trihydroxide
CID 172793707
tetrakis(hexane);oxotitanium
CID 175010509
hafnium(4+);nonane;trihydroxide
CID 172731149
dioxido(oxo)phosphanium;heptane;neodymium(3+)
CID 162000198
heptadecane
CID 156905849
methanol;octadecane;titanium
CID 87743640

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;bis(hexane);nickel(2+)?
The IUPAC name of dihydroxy(oxo)phosphanium;bis(hexane);nickel(2+) (CID 158398716) is dihydroxy(oxo)phosphanium;bis(hexane);nickel(2+).
What is the SMILES notation for dihydroxy(oxo)phosphanium;bis(hexane);nickel(2+)?
The canonical SMILES for dihydroxy(oxo)phosphanium;bis(hexane);nickel(2+) is O=[P+](O)O.[CH2-]CCCCC.[CH2-]CCCCC.[Ni+2].
What is the InChIKey of dihydroxy(oxo)phosphanium;bis(hexane);nickel(2+)?
The InChIKey is OCACAGJCMVOGNQ-UHFFFAOYSA-O. The full InChI is InChI=1S/2C6H13.Ni.HO3P/c2*1-3-5-6-4-2;;1-4(2)3/h2*1,3-6H2,2H3;;(H-,1,2,3)/q2*-1;+2;/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;bis(hexane);nickel(2+)?
dihydroxy(oxo)phosphanium;bis(hexane);nickel(2+) has a molecular weight of 310.02 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;bis(hexane);nickel(2+) is sourced from PubChem (CID 158398716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).