hydride;propan-1-olate;zirconium(4+);chloride

C3H9ClOZr — CID 18688191

IUPAChydride;propan-1-olate;zirconium(4+);chloride
SMILESCCC[O-].[Cl-].[H-].[H-].[Zr+4]
InChIInChI=1S/C3H7O.ClH.Zr.2H/c1-2-3-4;;;;/h2-3H2,1H3;1H;;;/q-1;;+4;2*-1/p-1
InChIKeyZORKBXSUWNUZGQ-UHFFFAOYSA-M
MW187.78 g/mol
LogP-3.02
Rot. Bonds1

About hydride;propan-1-olate;zirconium(4+);chloride

hydride;propan-1-olate;zirconium(4+);chloride (PubChem CID 18688191) has the molecular formula C3H9ClOZr and a molecular weight of 187.78 g/mol. Its IUPAC name is hydride;propan-1-olate;zirconium(4+);chloride.

Molecular Properties

Compound Namehydride;propan-1-olate;zirconium(4+);chloride
PubChem CID18688191
Molecular FormulaC3H9ClOZr
Molecular Weight187.78 g/mol
Exact Mass185.94
IUPAC Namehydride;propan-1-olate;zirconium(4+);chloride
SMILESCCC[O-].[Cl-].[H-].[H-].[Zr+4]
InChIInChI=1S/C3H7O.ClH.Zr.2H/c1-2-3-4;;;;/h2-3H2,1H3;1H;;;/q-1;;+4;2*-1/p-1
InChIKeyZORKBXSUWNUZGQ-UHFFFAOYSA-M
XLogP-3.02
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.78
LogP ≤ 5-3.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of hydride;propan-1-olate;zirconium(4+);chloride?
The IUPAC name of hydride;propan-1-olate;zirconium(4+);chloride (CID 18688191) is hydride;propan-1-olate;zirconium(4+);chloride.
What is the SMILES notation for hydride;propan-1-olate;zirconium(4+);chloride?
The canonical SMILES for hydride;propan-1-olate;zirconium(4+);chloride is CCC[O-].[Cl-].[H-].[H-].[Zr+4].
What is the InChIKey of hydride;propan-1-olate;zirconium(4+);chloride?
The InChIKey is ZORKBXSUWNUZGQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H7O.ClH.Zr.2H/c1-2-3-4;;;;/h2-3H2,1H3;1H;;;/q-1;;+4;2*-1/p-1.
What are the key properties of hydride;propan-1-olate;zirconium(4+);chloride?
hydride;propan-1-olate;zirconium(4+);chloride has a molecular weight of 187.78 g/mol, XLogP of -3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydride;propan-1-olate;zirconium(4+);chloride is sourced from PubChem (CID 18688191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).