nickel(2+);bis(tripropylphosphane);dichloride

C18H42Cl2NiP2 — CID 173106713

IUPACnickel(2+);bis(tripropylphosphane);dichloride
SMILESCCCP(CCC)CCC.CCCP(CCC)CCC.[Cl-].[Cl-].[Ni+2]
InChIInChI=1S/2C9H21P.2ClH.Ni/c2*1-4-7-10(8-5-2)9-6-3;;;/h2*4-9H2,1-3H3;2*1H;/q;;;;+2/p-2
InChIKeyDEOKAAJJAHNCTO-UHFFFAOYSA-L
MW450.08 g/mol
LogP1.40
Rot. Bonds12

About nickel(2+);bis(tripropylphosphane);dichloride

nickel(2+);bis(tripropylphosphane);dichloride (PubChem CID 173106713) has the molecular formula C18H42Cl2NiP2 and a molecular weight of 450.08 g/mol. Its IUPAC name is nickel(2+);bis(tripropylphosphane);dichloride.

Molecular Properties

Compound Namenickel(2+);bis(tripropylphosphane);dichloride
PubChem CID173106713
Molecular FormulaC18H42Cl2NiP2
Molecular Weight450.08 g/mol
Exact Mass448.15
IUPAC Namenickel(2+);bis(tripropylphosphane);dichloride
SMILESCCCP(CCC)CCC.CCCP(CCC)CCC.[Cl-].[Cl-].[Ni+2]
InChIInChI=1S/2C9H21P.2ClH.Ni/c2*1-4-7-10(8-5-2)9-6-3;;;/h2*4-9H2,1-3H3;2*1H;/q;;;;+2/p-2
InChIKeyDEOKAAJJAHNCTO-UHFFFAOYSA-L
XLogP1.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.08
LogP ≤ 51.40
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

bis(tripropylphosphane);zirconium(2+);tetrachloride
CID 23286584
bis(6-dipropylphosphanylhexyl)-propylphosphane
CID 90111361
tetraiodostannane;bis(tripropylphosphane)
CID 10985859
diethyl(propyl)phosphane
CID 19828866
dipropylphosphanylmethyl(dipropyl)phosphane
CID 23420802
butyl-pentyl-propylphosphane
CID 171559250
nickel(2+);tributylphosphane
CID 161451777
bis(dipropylphosphanylmethyl)-propylphosphane
CID 90108220
2-[bis(2-ethoxyethyl)phosphanyl]ethyl-dipropylphosphane
CID 58099933
azane;tributylphosphane
CID 87538509
gold;tributylphosphane
CID 88800341
tripentylphosphane
CID 2784073

Frequently Asked Questions

What is the IUPAC name of nickel(2+);bis(tripropylphosphane);dichloride?
The IUPAC name of nickel(2+);bis(tripropylphosphane);dichloride (CID 173106713) is nickel(2+);bis(tripropylphosphane);dichloride.
What is the SMILES notation for nickel(2+);bis(tripropylphosphane);dichloride?
The canonical SMILES for nickel(2+);bis(tripropylphosphane);dichloride is CCCP(CCC)CCC.CCCP(CCC)CCC.[Cl-].[Cl-].[Ni+2].
What is the InChIKey of nickel(2+);bis(tripropylphosphane);dichloride?
The InChIKey is DEOKAAJJAHNCTO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H21P.2ClH.Ni/c2*1-4-7-10(8-5-2)9-6-3;;;/h2*4-9H2,1-3H3;2*1H;/q;;;;+2/p-2.
What are the key properties of nickel(2+);bis(tripropylphosphane);dichloride?
nickel(2+);bis(tripropylphosphane);dichloride has a molecular weight of 450.08 g/mol, XLogP of 1.40, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nickel(2+);bis(tripropylphosphane);dichloride is sourced from PubChem (CID 173106713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).