butanoic acid;zirconium

C4H8O2Zr — CID 87090666

IUPACbutanoic acid;zirconium
SMILESCCCC(=O)O.[Zr]
InChIInChI=1S/C4H8O2.Zr/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);
InChIKeyIFIGQJHXPCWXOR-UHFFFAOYSA-N
MW179.33 g/mol
LogP0.87
Rot. Bonds2

About butanoic acid;zirconium

butanoic acid;zirconium (PubChem CID 87090666) has the molecular formula C4H8O2Zr and a molecular weight of 179.33 g/mol. Its IUPAC name is butanoic acid;zirconium.

Molecular Properties

Compound Namebutanoic acid;zirconium
PubChem CID87090666
Molecular FormulaC4H8O2Zr
Molecular Weight179.33 g/mol
Exact Mass177.96
IUPAC Namebutanoic acid;zirconium
SMILESCCCC(=O)O.[Zr]
InChIInChI=1S/C4H8O2.Zr/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);
InChIKeyIFIGQJHXPCWXOR-UHFFFAOYSA-N
XLogP0.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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butanoic acid;copper
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butanoic acid;dihydrochloride
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butanoic acid;praseodymium
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azane;butanoic acid
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butanoic acid;mercury
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azane;butanoic acid
CID 173280540

Frequently Asked Questions

What is the IUPAC name of butanoic acid;zirconium?
The IUPAC name of butanoic acid;zirconium (CID 87090666) is butanoic acid;zirconium.
What is the SMILES notation for butanoic acid;zirconium?
The canonical SMILES for butanoic acid;zirconium is CCCC(=O)O.[Zr].
What is the InChIKey of butanoic acid;zirconium?
The InChIKey is IFIGQJHXPCWXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.Zr/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);.
What are the key properties of butanoic acid;zirconium?
butanoic acid;zirconium has a molecular weight of 179.33 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butanoic acid;zirconium is sourced from PubChem (CID 87090666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).