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

C14H32HfO4 — CID 174752199

IUPACbis(butan-1-ol);hafnium;bis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.CCCCO.CCCCO.[Hf]
InChIInChI=1S/2C4H10O.2C3H6O.Hf/c2*1-2-3-4-5;2*1-3(2)4;/h2*5H,2-4H2,1H3;2*1-2H3;
InChIKeyVYHOVIILZWTZBB-UHFFFAOYSA-N
MW442.90 g/mol
LogP2.75
Rot. Bonds4

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

bis(butan-1-ol);hafnium;bis(propan-2-one) (PubChem CID 174752199) has the molecular formula C14H32HfO4 and a molecular weight of 442.90 g/mol. Its IUPAC name is bis(butan-1-ol);hafnium;bis(propan-2-one).

Molecular Properties

Compound Namebis(butan-1-ol);hafnium;bis(propan-2-one)
PubChem CID174752199
Molecular FormulaC14H32HfO4
Molecular Weight442.90 g/mol
Exact Mass444.18
IUPAC Namebis(butan-1-ol);hafnium;bis(propan-2-one)
SMILESCC(C)=O.CC(C)=O.CCCCO.CCCCO.[Hf]
InChIInChI=1S/2C4H10O.2C3H6O.Hf/c2*1-2-3-4-5;2*1-3(2)4;/h2*5H,2-4H2,1H3;2*1-2H3;
InChIKeyVYHOVIILZWTZBB-UHFFFAOYSA-N
XLogP2.75
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 160583773
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CID 159639130
butan-1-ol;hexan-2-one
CID 20532115
tetrakis(butan-1-ol);oxozirconium
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Frequently Asked Questions

What is the IUPAC name of bis(butan-1-ol);hafnium;bis(propan-2-one)?
The IUPAC name of bis(butan-1-ol);hafnium;bis(propan-2-one) (CID 174752199) is bis(butan-1-ol);hafnium;bis(propan-2-one).
What is the SMILES notation for bis(butan-1-ol);hafnium;bis(propan-2-one)?
The canonical SMILES for bis(butan-1-ol);hafnium;bis(propan-2-one) is CC(C)=O.CC(C)=O.CCCCO.CCCCO.[Hf].
What is the InChIKey of bis(butan-1-ol);hafnium;bis(propan-2-one)?
The InChIKey is VYHOVIILZWTZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O.2C3H6O.Hf/c2*1-2-3-4-5;2*1-3(2)4;/h2*5H,2-4H2,1H3;2*1-2H3;.
What are the key properties of bis(butan-1-ol);hafnium;bis(propan-2-one)?
bis(butan-1-ol);hafnium;bis(propan-2-one) has a molecular weight of 442.90 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(butan-1-ol);hafnium;bis(propan-2-one) is sourced from PubChem (CID 174752199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).