nickel;tris(propan-2-one)

C9H18NiO3 — CID 175333114

IUPACnickel;tris(propan-2-one)
SMILESCC(C)=O.CC(C)=O.CC(C)=O.[Ni]
InChIInChI=1S/3C3H6O.Ni/c3*1-3(2)4;/h3*1-2H3;
InChIKeyZVUXSEVINWIOKY-UHFFFAOYSA-N
MW232.93 g/mol
LogP1.78
Rot. Bonds

About nickel;tris(propan-2-one)

nickel;tris(propan-2-one) (PubChem CID 175333114) has the molecular formula C9H18NiO3 and a molecular weight of 232.93 g/mol. Its IUPAC name is nickel;tris(propan-2-one).

Molecular Properties

Compound Namenickel;tris(propan-2-one)
PubChem CID175333114
Molecular FormulaC9H18NiO3
Molecular Weight232.93 g/mol
Exact Mass232.06
IUPAC Namenickel;tris(propan-2-one)
SMILESCC(C)=O.CC(C)=O.CC(C)=O.[Ni]
InChIInChI=1S/3C3H6O.Ni/c3*1-3(2)4;/h3*1-2H3;
InChIKeyZVUXSEVINWIOKY-UHFFFAOYSA-N
XLogP1.78
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.93
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of nickel;tris(propan-2-one)?
The IUPAC name of nickel;tris(propan-2-one) (CID 175333114) is nickel;tris(propan-2-one).
What is the SMILES notation for nickel;tris(propan-2-one)?
The canonical SMILES for nickel;tris(propan-2-one) is CC(C)=O.CC(C)=O.CC(C)=O.[Ni].
What is the InChIKey of nickel;tris(propan-2-one)?
The InChIKey is ZVUXSEVINWIOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H6O.Ni/c3*1-3(2)4;/h3*1-2H3;.
What are the key properties of nickel;tris(propan-2-one)?
nickel;tris(propan-2-one) has a molecular weight of 232.93 g/mol, XLogP of 1.78, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;tris(propan-2-one) is sourced from PubChem (CID 175333114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).