dichloronickel;1-methoxy-2-(2-methoxyethoxy)ethane

C6H14Cl2NiO3 — CID 11334546

IUPACdichloronickel;1-methoxy-2-(2-methoxyethoxy)ethane
SMILESCOCCOCCOC.Cl[Ni]Cl
InChIInChI=1S/C6H14O3.2ClH.Ni/c1-7-3-5-9-6-4-8-2;;;/h3-6H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyKPZIHIXZIKKRGZ-UHFFFAOYSA-L
MW263.77 g/mol
LogP1.67
Rot. Bonds6

About dichloronickel;1-methoxy-2-(2-methoxyethoxy)ethane

dichloronickel;1-methoxy-2-(2-methoxyethoxy)ethane (PubChem CID 11334546) has the molecular formula C6H14Cl2NiO3 and a molecular weight of 263.77 g/mol. Its IUPAC name is dichloronickel;1-methoxy-2-(2-methoxyethoxy)ethane.

Molecular Properties

Compound Namedichloronickel;1-methoxy-2-(2-methoxyethoxy)ethane
PubChem CID11334546
Molecular FormulaC6H14Cl2NiO3
Molecular Weight263.77 g/mol
Exact Mass261.97
IUPAC Namedichloronickel;1-methoxy-2-(2-methoxyethoxy)ethane
SMILESCOCCOCCOC.Cl[Ni]Cl
InChIInChI=1S/C6H14O3.2ClH.Ni/c1-7-3-5-9-6-4-8-2;;;/h3-6H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyKPZIHIXZIKKRGZ-UHFFFAOYSA-L
XLogP1.67
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloronickel;1-methoxy-2-(2-methoxyethoxy)ethane?
The IUPAC name of dichloronickel;1-methoxy-2-(2-methoxyethoxy)ethane (CID 11334546) is dichloronickel;1-methoxy-2-(2-methoxyethoxy)ethane.
What is the SMILES notation for dichloronickel;1-methoxy-2-(2-methoxyethoxy)ethane?
The canonical SMILES for dichloronickel;1-methoxy-2-(2-methoxyethoxy)ethane is COCCOCCOC.Cl[Ni]Cl.
What is the InChIKey of dichloronickel;1-methoxy-2-(2-methoxyethoxy)ethane?
The InChIKey is KPZIHIXZIKKRGZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H14O3.2ClH.Ni/c1-7-3-5-9-6-4-8-2;;;/h3-6H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloronickel;1-methoxy-2-(2-methoxyethoxy)ethane?
dichloronickel;1-methoxy-2-(2-methoxyethoxy)ethane has a molecular weight of 263.77 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel;1-methoxy-2-(2-methoxyethoxy)ethane is sourced from PubChem (CID 11334546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).