oxolane;zirconium(4+);tetrachloride

C4H8Cl4OZr — CID 86586626

IUPACoxolane;zirconium(4+);tetrachloride
SMILESC1CCOC1.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C4H8O.4ClH.Zr/c1-2-4-5-3-1;;;;;/h1-4H2;4*1H;/q;;;;;+4/p-4
InChIKeyOJGXBHHMMHJMLS-UHFFFAOYSA-J
MW305.14 g/mol
LogP-11.19
Rot. Bonds

About oxolane;zirconium(4+);tetrachloride

oxolane;zirconium(4+);tetrachloride (PubChem CID 86586626) has the molecular formula C4H8Cl4OZr and a molecular weight of 305.14 g/mol. Its IUPAC name is oxolane;zirconium(4+);tetrachloride.

Molecular Properties

Compound Nameoxolane;zirconium(4+);tetrachloride
PubChem CID86586626
Molecular FormulaC4H8Cl4OZr
Molecular Weight305.14 g/mol
Exact Mass301.84
IUPAC Nameoxolane;zirconium(4+);tetrachloride
SMILESC1CCOC1.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4]
InChIInChI=1S/C4H8O.4ClH.Zr/c1-2-4-5-3-1;;;;;/h1-4H2;4*1H;/q;;;;;+4/p-4
InChIKeyOJGXBHHMMHJMLS-UHFFFAOYSA-J
XLogP-11.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.14
LogP ≤ 5-11.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of oxolane;zirconium(4+);tetrachloride?
The IUPAC name of oxolane;zirconium(4+);tetrachloride (CID 86586626) is oxolane;zirconium(4+);tetrachloride.
What is the SMILES notation for oxolane;zirconium(4+);tetrachloride?
The canonical SMILES for oxolane;zirconium(4+);tetrachloride is C1CCOC1.[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4].
What is the InChIKey of oxolane;zirconium(4+);tetrachloride?
The InChIKey is OJGXBHHMMHJMLS-UHFFFAOYSA-J. The full InChI is InChI=1S/C4H8O.4ClH.Zr/c1-2-4-5-3-1;;;;;/h1-4H2;4*1H;/q;;;;;+4/p-4.
What are the key properties of oxolane;zirconium(4+);tetrachloride?
oxolane;zirconium(4+);tetrachloride has a molecular weight of 305.14 g/mol, XLogP of -11.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;zirconium(4+);tetrachloride is sourced from PubChem (CID 86586626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).