tetrakis(dodecyl(dimethyl)phosphane);nickel

C56H124NiP4 — CID 161299550

IUPACtetrakis(dodecyl(dimethyl)phosphane);nickel
SMILESCCCCCCCCCCCCP(C)C.CCCCCCCCCCCCP(C)C.CCCCCCCCCCCCP(C)C.CCCCCCCCCCCCP(C)C.[Ni]
InChIInChI=1S/4C14H31P.Ni/c4*1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;/h4*4-14H2,1-3H3;
InChIKeyVHKPMALBZZFFCN-UHFFFAOYSA-N
MW980.20 g/mol
LogP22.59
Rot. Bonds44

About tetrakis(dodecyl(dimethyl)phosphane);nickel

tetrakis(dodecyl(dimethyl)phosphane);nickel (PubChem CID 161299550) has the molecular formula C56H124NiP4 and a molecular weight of 980.20 g/mol. Its IUPAC name is tetrakis(dodecyl(dimethyl)phosphane);nickel.

Molecular Properties

Compound Nametetrakis(dodecyl(dimethyl)phosphane);nickel
PubChem CID161299550
Molecular FormulaC56H124NiP4
Molecular Weight980.20 g/mol
Exact Mass978.80
IUPAC Nametetrakis(dodecyl(dimethyl)phosphane);nickel
SMILESCCCCCCCCCCCCP(C)C.CCCCCCCCCCCCP(C)C.CCCCCCCCCCCCP(C)C.CCCCCCCCCCCCP(C)C.[Ni]
InChIInChI=1S/4C14H31P.Ni/c4*1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;/h4*4-14H2,1-3H3;
InChIKeyVHKPMALBZZFFCN-UHFFFAOYSA-N
XLogP22.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds44
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500980.20
LogP ≤ 522.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

heptyl(dimethyl)phosphane
CID 18386855
hexadecyl(dimethyl)phosphane;hydrochloride
CID 173426692
deuteriomethyl-dodecyl-methylphosphane
CID 162415036
methyl-di(tetradecyl)phosphane
CID 89485367
hexyl-methyl-octylphosphane
CID 22497581
diheptyl(methyl)phosphane
CID 22497718
4-(4-hexylphenyl)butyl-dimethylphosphane
CID 142018377
heptane;nickel
CID 172769107
octacosane;sulfane
CID 157204687
4-dihexylphosphanylbutyl(dihexyl)phosphane
CID 90109945
hexyl-octyl-pentylphosphane
CID 90108526
hexyl-[[hexyl(methyl)phosphanyl]methyl]-methylphosphane
CID 23501422

Frequently Asked Questions

What is the IUPAC name of tetrakis(dodecyl(dimethyl)phosphane);nickel?
The IUPAC name of tetrakis(dodecyl(dimethyl)phosphane);nickel (CID 161299550) is tetrakis(dodecyl(dimethyl)phosphane);nickel.
What is the SMILES notation for tetrakis(dodecyl(dimethyl)phosphane);nickel?
The canonical SMILES for tetrakis(dodecyl(dimethyl)phosphane);nickel is CCCCCCCCCCCCP(C)C.CCCCCCCCCCCCP(C)C.CCCCCCCCCCCCP(C)C.CCCCCCCCCCCCP(C)C.[Ni].
What is the InChIKey of tetrakis(dodecyl(dimethyl)phosphane);nickel?
The InChIKey is VHKPMALBZZFFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H31P.Ni/c4*1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;/h4*4-14H2,1-3H3;.
What are the key properties of tetrakis(dodecyl(dimethyl)phosphane);nickel?
tetrakis(dodecyl(dimethyl)phosphane);nickel has a molecular weight of 980.20 g/mol, XLogP of 22.59, 44 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dodecyl(dimethyl)phosphane);nickel is sourced from PubChem (CID 161299550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).