bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+)

C32H52NiO8P2 — CID 15752109

IUPACbis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+)
SMILESCOP(=O)([O-])Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.COP(=O)([O-])Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Ni+2]
InChIInChI=1S/2C16H27O4P.Ni/c2*1-15(2,3)12-8-11(10-21(18,19)20-7)9-13(14(12)17)16(4,5)6;/h2*8-9,17H,10H2,1-7H3,(H,18,19);/q;;+2/p-2
InChIKeyMKUMRHSVMRDPBJ-UHFFFAOYSA-L
MW685.40 g/mol
LogP7.37
Rot. Bonds6

About bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+)

bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+) (PubChem CID 15752109) has the molecular formula C32H52NiO8P2 and a molecular weight of 685.40 g/mol. Its IUPAC name is bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+).

Molecular Properties

Compound Namebis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+)
PubChem CID15752109
Molecular FormulaC32H52NiO8P2
Molecular Weight685.40 g/mol
Exact Mass684.25
IUPAC Namebis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+)
SMILESCOP(=O)([O-])Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.COP(=O)([O-])Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Ni+2]
InChIInChI=1S/2C16H27O4P.Ni/c2*1-15(2,3)12-8-11(10-21(18,19)20-7)9-13(14(12)17)16(4,5)6;/h2*8-9,17H,10H2,1-7H3,(H,18,19);/q;;+2/p-2
InChIKeyMKUMRHSVMRDPBJ-UHFFFAOYSA-L
XLogP7.37
TPSA139.18 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500685.40
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

copper;bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)
CID 157482776
distrontium bis(2,6-ditert-butyl-4-(phosphonatomethyl)phenol)
CID 161172896
2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;(3,5-ditert-butyl-4-hydroxyphenyl)methyl-ethoxyphosphinate;methane
CID 158091243
calcium;(3,5-ditert-butyl-4-hydroxyphenyl)methylphosphonic acid;hydride
CID 173169502
(3,5-ditert-butyl-4-hydroxyphenyl)methoxy-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]phosphinic acid
CID 149251641
potassium;2,6-ditert-butyl-4-(diethoxyphosphorylmethyl)phenol;hydride
CID 173169408
disodium;2,6-ditert-butyl-4-(3-phosphonatopropyl)phenol
CID 172808493
(3,5-ditert-butyl-4-hydroxyphenyl)methyl dihydrogen phosphate;ethanolate;nickel
CID 158833007
2,6-ditert-butyl-4-(didodecoxyphosphorylmethyl)phenol
CID 23358457
(3,5-ditert-butyl-4-hydroxyphenyl) dimethyl phosphate
CID 5134279
3-[3,5-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl-hydroxyphosphoryl]oxyphenyl]propanoic acid
CID 175483047
4-[bis(2,4-dimethylphenoxy)phosphorylmethyl]-2,6-ditert-butylphenol
CID 88760648

Frequently Asked Questions

What is the IUPAC name of bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+)?
The IUPAC name of bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+) (CID 15752109) is bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+).
What is the SMILES notation for bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+)?
The canonical SMILES for bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+) is COP(=O)([O-])Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.COP(=O)([O-])Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.[Ni+2].
What is the InChIKey of bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+)?
The InChIKey is MKUMRHSVMRDPBJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H27O4P.Ni/c2*1-15(2,3)12-8-11(10-21(18,19)20-7)9-13(14(12)17)16(4,5)6;/h2*8-9,17H,10H2,1-7H3,(H,18,19);/q;;+2/p-2.
What are the key properties of bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+)?
bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+) has a molecular weight of 685.40 g/mol, XLogP of 7.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3,5-ditert-butyl-4-hydroxyphenyl)methyl-methoxyphosphinate);nickel(2+) is sourced from PubChem (CID 15752109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).