tris(propan-1-ol);zirconium;chloride

C9H24ClO3Zr- — CID 18944786

IUPACtris(propan-1-ol);zirconium;chloride
SMILESCCCO.CCCO.CCCO.[Cl-].[Zr]
InChIInChI=1S/3C3H8O.ClH.Zr/c3*1-2-3-4;;/h3*4H,2-3H2,1H3;1H;/p-1
InChIKeySKCQWUNWWXTPSG-UHFFFAOYSA-M
MW306.97 g/mol
LogP-1.83
Rot. Bonds3

About tris(propan-1-ol);zirconium;chloride

tris(propan-1-ol);zirconium;chloride (PubChem CID 18944786) has the molecular formula C9H24ClO3Zr- and a molecular weight of 306.97 g/mol. Its IUPAC name is tris(propan-1-ol);zirconium;chloride.

Molecular Properties

Compound Nametris(propan-1-ol);zirconium;chloride
PubChem CID18944786
Molecular FormulaC9H24ClO3Zr-
Molecular Weight306.97 g/mol
Exact Mass305.05
IUPAC Nametris(propan-1-ol);zirconium;chloride
SMILESCCCO.CCCO.CCCO.[Cl-].[Zr]
InChIInChI=1S/3C3H8O.ClH.Zr/c3*1-2-3-4;;/h3*4H,2-3H2,1H3;1H;/p-1
InChIKeySKCQWUNWWXTPSG-UHFFFAOYSA-M
XLogP-1.83
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.97
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tris(propan-1-ol);zirconium;chloride?
The IUPAC name of tris(propan-1-ol);zirconium;chloride (CID 18944786) is tris(propan-1-ol);zirconium;chloride.
What is the SMILES notation for tris(propan-1-ol);zirconium;chloride?
The canonical SMILES for tris(propan-1-ol);zirconium;chloride is CCCO.CCCO.CCCO.[Cl-].[Zr].
What is the InChIKey of tris(propan-1-ol);zirconium;chloride?
The InChIKey is SKCQWUNWWXTPSG-UHFFFAOYSA-M. The full InChI is InChI=1S/3C3H8O.ClH.Zr/c3*1-2-3-4;;/h3*4H,2-3H2,1H3;1H;/p-1.
What are the key properties of tris(propan-1-ol);zirconium;chloride?
tris(propan-1-ol);zirconium;chloride has a molecular weight of 306.97 g/mol, XLogP of -1.83, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(propan-1-ol);zirconium;chloride is sourced from PubChem (CID 18944786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).