butane;dichloronickel;diphenylphosphane

C16H21Cl2NiP — CID 160852831

IUPACbutane;dichloronickel;diphenylphosphane
SMILESCCCC.Cl[Ni]Cl.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C4H10.2ClH.Ni/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-4-2;;;/h1-10,13H;3-4H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeySJMFIOVTMGJPEK-UHFFFAOYSA-L
MW373.92 g/mol
LogP5.50
Rot. Bonds3

About butane;dichloronickel;diphenylphosphane

butane;dichloronickel;diphenylphosphane (PubChem CID 160852831) has the molecular formula C16H21Cl2NiP and a molecular weight of 373.92 g/mol. Its IUPAC name is butane;dichloronickel;diphenylphosphane.

Molecular Properties

Compound Namebutane;dichloronickel;diphenylphosphane
PubChem CID160852831
Molecular FormulaC16H21Cl2NiP
Molecular Weight373.92 g/mol
Exact Mass372.01
IUPAC Namebutane;dichloronickel;diphenylphosphane
SMILESCCCC.Cl[Ni]Cl.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C4H10.2ClH.Ni/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-4-2;;;/h1-10,13H;3-4H2,1-2H3;2*1H;/q;;;;+2/p-2
InChIKeySJMFIOVTMGJPEK-UHFFFAOYSA-L
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.92
LogP ≤ 55.50
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

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bis(diphenylphosphane);zinc
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diphenylphosphane;trichlororuthenium
CID 162065304
butane;phenylphosphinous acid
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dichloropalladium;diphenylphosphane;iron
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Frequently Asked Questions

What is the IUPAC name of butane;dichloronickel;diphenylphosphane?
The IUPAC name of butane;dichloronickel;diphenylphosphane (CID 160852831) is butane;dichloronickel;diphenylphosphane.
What is the SMILES notation for butane;dichloronickel;diphenylphosphane?
The canonical SMILES for butane;dichloronickel;diphenylphosphane is CCCC.Cl[Ni]Cl.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of butane;dichloronickel;diphenylphosphane?
The InChIKey is SJMFIOVTMGJPEK-UHFFFAOYSA-L. The full InChI is InChI=1S/C12H11P.C4H10.2ClH.Ni/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-3-4-2;;;/h1-10,13H;3-4H2,1-2H3;2*1H;/q;;;;+2/p-2.
What are the key properties of butane;dichloronickel;diphenylphosphane?
butane;dichloronickel;diphenylphosphane has a molecular weight of 373.92 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butane;dichloronickel;diphenylphosphane is sourced from PubChem (CID 160852831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).