nickel(2+);tributylphosphane

C12H27NiP+2 — CID 161451777

IUPACnickel(2+);tributylphosphane
SMILESCCCCP(CCCC)CCCC.[Ni+2]
InChIInChI=1S/C12H27P.Ni/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;/q;+2
InChIKeyWAPUMAREJATVCR-UHFFFAOYSA-N
MW261.01 g/mol
LogP4.87
Rot. Bonds9

About nickel(2+);tributylphosphane

nickel(2+);tributylphosphane (PubChem CID 161451777) has the molecular formula C12H27NiP+2 and a molecular weight of 261.01 g/mol. Its IUPAC name is nickel(2+);tributylphosphane.

Molecular Properties

Compound Namenickel(2+);tributylphosphane
PubChem CID161451777
Molecular FormulaC12H27NiP+2
Molecular Weight261.01 g/mol
Exact Mass260.12
IUPAC Namenickel(2+);tributylphosphane
SMILESCCCCP(CCCC)CCCC.[Ni+2]
InChIInChI=1S/C12H27P.Ni/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;/q;+2
InChIKeyWAPUMAREJATVCR-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.01
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

azane;tributylphosphane
CID 87538509
gold;tributylphosphane
CID 88800341
ruthenium;tetrakis(tributylphosphane)
CID 137286049
nickel;bis(tributylphosphane)
CID 50940317
platinum;bis(tributylphosphane);dihydrochloride
CID 101088975
dibutyl(5-dibutylphosphanylpentyl)phosphane
CID 90109453
cobalt;rhodium;tributylphosphane
CID 174653599
dibutyl(tetradecyl)phosphane
CID 118319275
dibutyl(decyl)phosphane
CID 171559269
tripentylphosphane
CID 2784073
tributylphosphane;trichlorocobalt
CID 174913282
butyl-pentyl-propylphosphane
CID 171559250

Frequently Asked Questions

What is the IUPAC name of nickel(2+);tributylphosphane?
The IUPAC name of nickel(2+);tributylphosphane (CID 161451777) is nickel(2+);tributylphosphane.
What is the SMILES notation for nickel(2+);tributylphosphane?
The canonical SMILES for nickel(2+);tributylphosphane is CCCCP(CCCC)CCCC.[Ni+2].
What is the InChIKey of nickel(2+);tributylphosphane?
The InChIKey is WAPUMAREJATVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27P.Ni/c1-4-7-10-13(11-8-5-2)12-9-6-3;/h4-12H2,1-3H3;/q;+2.
What are the key properties of nickel(2+);tributylphosphane?
nickel(2+);tributylphosphane has a molecular weight of 261.01 g/mol, XLogP of 4.87, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);tributylphosphane is sourced from PubChem (CID 161451777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).