propan-2-one;zirconium

C3H6OZr — CID 87087539

IUPACpropan-2-one;zirconium
SMILESCC(C)=O.[Zr]
InChIInChI=1S/C3H6O.Zr/c1-3(2)4;/h1-2H3;
InChIKeyAMPWJYZVAULOEI-UHFFFAOYSA-N
MW149.30 g/mol
LogP0.59
Rot. Bonds

About propan-2-one;zirconium

propan-2-one;zirconium (PubChem CID 87087539) has the molecular formula C3H6OZr and a molecular weight of 149.30 g/mol. Its IUPAC name is propan-2-one;zirconium.

Molecular Properties

Compound Namepropan-2-one;zirconium
PubChem CID87087539
Molecular FormulaC3H6OZr
Molecular Weight149.30 g/mol
Exact Mass147.95
IUPAC Namepropan-2-one;zirconium
SMILESCC(C)=O.[Zr]
InChIInChI=1S/C3H6O.Zr/c1-3(2)4;/h1-2H3;
InChIKeyAMPWJYZVAULOEI-UHFFFAOYSA-N
XLogP0.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.30
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of propan-2-one;zirconium?
The IUPAC name of propan-2-one;zirconium (CID 87087539) is propan-2-one;zirconium.
What is the SMILES notation for propan-2-one;zirconium?
The canonical SMILES for propan-2-one;zirconium is CC(C)=O.[Zr].
What is the InChIKey of propan-2-one;zirconium?
The InChIKey is AMPWJYZVAULOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O.Zr/c1-3(2)4;/h1-2H3;.
What are the key properties of propan-2-one;zirconium?
propan-2-one;zirconium has a molecular weight of 149.30 g/mol, XLogP of 0.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-one;zirconium is sourced from PubChem (CID 87087539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).