dichloronickel;oxolane

C4H8Cl2NiO — CID 15392750

IUPACdichloronickel;oxolane
SMILESC1CCOC1.Cl[Ni]Cl
InChIInChI=1S/C4H8O.2ClH.Ni/c1-2-4-5-3-1;;;/h1-4H2;2*1H;/q;;;+2/p-2
InChIKeyLXQZBGQEUKPVQM-UHFFFAOYSA-L
MW201.71 g/mol
LogP2.17
Rot. Bonds

About dichloronickel;oxolane

dichloronickel;oxolane (PubChem CID 15392750) has the molecular formula C4H8Cl2NiO and a molecular weight of 201.71 g/mol. Its IUPAC name is dichloronickel;oxolane.

Molecular Properties

Compound Namedichloronickel;oxolane
PubChem CID15392750
Molecular FormulaC4H8Cl2NiO
Molecular Weight201.71 g/mol
Exact Mass199.93
IUPAC Namedichloronickel;oxolane
SMILESC1CCOC1.Cl[Ni]Cl
InChIInChI=1S/C4H8O.2ClH.Ni/c1-2-4-5-3-1;;;/h1-4H2;2*1H;/q;;;+2/p-2
InChIKeyLXQZBGQEUKPVQM-UHFFFAOYSA-L
XLogP2.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.71
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dichloronickel;oxolane?
The IUPAC name of dichloronickel;oxolane (CID 15392750) is dichloronickel;oxolane.
What is the SMILES notation for dichloronickel;oxolane?
The canonical SMILES for dichloronickel;oxolane is C1CCOC1.Cl[Ni]Cl.
What is the InChIKey of dichloronickel;oxolane?
The InChIKey is LXQZBGQEUKPVQM-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H8O.2ClH.Ni/c1-2-4-5-3-1;;;/h1-4H2;2*1H;/q;;;+2/p-2.
What are the key properties of dichloronickel;oxolane?
dichloronickel;oxolane has a molecular weight of 201.71 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloronickel;oxolane is sourced from PubChem (CID 15392750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).