chloronickel;tetrakis(3,3-dimethylbutan-1-ol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol

C48H100Cl4N4Ni4O8-4 — CID 5242366

IUPACchloronickel;tetrakis(3,3-dimethylbutan-1-ol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol
SMILESCC(C)(C)CCO.CC(C)(C)CCO.CC(C)(C)CCO.CC(C)(C)CCO.Cl[Ni].Cl[Ni].Cl[Ni].Cl[Ni].OCC1=CC=CC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1
InChIInChI=1S/3C6H12NO.C6H8NO.4C6H14O.4ClH.4Ni/c4*8-5-6-3-1-2-4-7-6;4*1-6(2,3)4-5-7;;;;;;;;/h3*6,8H,1-5H2;1-3,8H,4-5H2;4*7H,4-5H2,1-3H3;4*1H;;;;/q4*-1;;;;;;;;;4*+1/p-4
InChIKeyYMMYRHFHKQRAFH-UHFFFAOYSA-J
MW1237.93 g/mol
LogP11.93
Rot. Bonds8

About chloronickel;tetrakis(3,3-dimethylbutan-1-ol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol

chloronickel;tetrakis(3,3-dimethylbutan-1-ol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol (PubChem CID 5242366) has the molecular formula C48H100Cl4N4Ni4O8-4 and a molecular weight of 1237.93 g/mol. Its IUPAC name is chloronickel;tetrakis(3,3-dimethylbutan-1-ol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol.

Molecular Properties

Compound Namechloronickel;tetrakis(3,3-dimethylbutan-1-ol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol
PubChem CID5242366
Molecular FormulaC48H100Cl4N4Ni4O8-4
Molecular Weight1237.93 g/mol
Exact Mass1232.37
IUPAC Namechloronickel;tetrakis(3,3-dimethylbutan-1-ol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol
SMILESCC(C)(C)CCO.CC(C)(C)CCO.CC(C)(C)CCO.CC(C)(C)CCO.Cl[Ni].Cl[Ni].Cl[Ni].Cl[Ni].OCC1=CC=CC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1
InChIInChI=1S/3C6H12NO.C6H8NO.4C6H14O.4ClH.4Ni/c4*8-5-6-3-1-2-4-7-6;4*1-6(2,3)4-5-7;;;;;;;;/h3*6,8H,1-5H2;1-3,8H,4-5H2;4*7H,4-5H2,1-3H3;4*1H;;;;/q4*-1;;;;;;;;;4*+1/p-4
InChIKeyYMMYRHFHKQRAFH-UHFFFAOYSA-J
XLogP11.93
TPSA218.24 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001237.93
LogP ≤ 511.93
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

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Related Compounds

manganese;manganese(2+);manganese(3+);methanol;bis(pentane-2,4-diol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol
CID 5242118
chloronickel;ethanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol
CID 5242364
azanide;hexakis(dicyanoazanide);manganese;bis(manganese(2+));tetrakis(manganese(3+));tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol;hexahydrate
CID 5246988
chloronickel;methanol;tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-2-ylmethanol
CID 5255582

Frequently Asked Questions

What is the IUPAC name of chloronickel;tetrakis(3,3-dimethylbutan-1-ol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol?
The IUPAC name of chloronickel;tetrakis(3,3-dimethylbutan-1-ol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol (CID 5242366) is chloronickel;tetrakis(3,3-dimethylbutan-1-ol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol.
What is the SMILES notation for chloronickel;tetrakis(3,3-dimethylbutan-1-ol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol?
The canonical SMILES for chloronickel;tetrakis(3,3-dimethylbutan-1-ol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol is CC(C)(C)CCO.CC(C)(C)CCO.CC(C)(C)CCO.CC(C)(C)CCO.Cl[Ni].Cl[Ni].Cl[Ni].Cl[Ni].OCC1=CC=CC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.OCC1CCCC[N-]1.
What is the InChIKey of chloronickel;tetrakis(3,3-dimethylbutan-1-ol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol?
The InChIKey is YMMYRHFHKQRAFH-UHFFFAOYSA-J. The full InChI is InChI=1S/3C6H12NO.C6H8NO.4C6H14O.4ClH.4Ni/c4*8-5-6-3-1-2-4-7-6;4*1-6(2,3)4-5-7;;;;;;;;/h3*6,8H,1-5H2;1-3,8H,4-5H2;4*7H,4-5H2,1-3H3;4*1H;;;;/q4*-1;;;;;;;;;4*+1/p-4.
What are the key properties of chloronickel;tetrakis(3,3-dimethylbutan-1-ol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol?
chloronickel;tetrakis(3,3-dimethylbutan-1-ol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol has a molecular weight of 1237.93 g/mol, XLogP of 11.93, 8 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for chloronickel;tetrakis(3,3-dimethylbutan-1-ol);tris(piperidin-1-id-2-ylmethanol);2H-pyridin-1-id-6-ylmethanol is sourced from PubChem (CID 5242366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).