bis(butan-1-olate);hafnium;bis(propan-2-one)

C14H30HfO4-2 — CID 159892483

IUPACbis(butan-1-olate);hafnium;bis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.CCCC[O-].CCCC[O-].[Hf]
InChIInChI=1S/2C4H9O.2C3H6O.Hf/c2*1-2-3-4-5;2*1-3(2)4;/h2*2-4H2,1H3;2*1-2H3;/q2*-1;;;
InChIKeySCHQRVUHDUPZFG-UHFFFAOYSA-N
MW440.88 g/mol
LogP1.48
Rot. Bonds4

About bis(butan-1-olate);hafnium;bis(propan-2-one)

bis(butan-1-olate);hafnium;bis(propan-2-one) (PubChem CID 159892483) has the molecular formula C14H30HfO4-2 and a molecular weight of 440.88 g/mol. Its IUPAC name is bis(butan-1-olate);hafnium;bis(propan-2-one).

Molecular Properties

Compound Namebis(butan-1-olate);hafnium;bis(propan-2-one)
PubChem CID159892483
Molecular FormulaC14H30HfO4-2
Molecular Weight440.88 g/mol
Exact Mass442.16
IUPAC Namebis(butan-1-olate);hafnium;bis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.CCCC[O-].CCCC[O-].[Hf]
InChIInChI=1S/2C4H9O.2C3H6O.Hf/c2*1-2-3-4-5;2*1-3(2)4;/h2*2-4H2,1H3;2*1-2H3;/q2*-1;;;
InChIKeySCHQRVUHDUPZFG-UHFFFAOYSA-N
XLogP1.48
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.88
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of bis(butan-1-olate);hafnium;bis(propan-2-one)?
The IUPAC name of bis(butan-1-olate);hafnium;bis(propan-2-one) (CID 159892483) is bis(butan-1-olate);hafnium;bis(propan-2-one).
What is the SMILES notation for bis(butan-1-olate);hafnium;bis(propan-2-one)?
The canonical SMILES for bis(butan-1-olate);hafnium;bis(propan-2-one) is CC(C)=O.CC(C)=O.CCCC[O-].CCCC[O-].[Hf].
What is the InChIKey of bis(butan-1-olate);hafnium;bis(propan-2-one)?
The InChIKey is SCHQRVUHDUPZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O.2C3H6O.Hf/c2*1-2-3-4-5;2*1-3(2)4;/h2*2-4H2,1H3;2*1-2H3;/q2*-1;;;.
What are the key properties of bis(butan-1-olate);hafnium;bis(propan-2-one)?
bis(butan-1-olate);hafnium;bis(propan-2-one) has a molecular weight of 440.88 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butan-1-olate);hafnium;bis(propan-2-one) is sourced from PubChem (CID 159892483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).