butanoic acid;praseodymium

C4H8O2Pr — CID 88777452

IUPACbutanoic acid;praseodymium
SMILESCCCC(=O)O.[Pr]
InChIInChI=1S/C4H8O2.Pr/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);
InChIKeyJWBHJMABIWLKMF-UHFFFAOYSA-N
MW229.01 g/mol
LogP0.87
Rot. Bonds2

About butanoic acid;praseodymium

butanoic acid;praseodymium (PubChem CID 88777452) has the molecular formula C4H8O2Pr and a molecular weight of 229.01 g/mol. Its IUPAC name is butanoic acid;praseodymium.

Molecular Properties

Compound Namebutanoic acid;praseodymium
PubChem CID88777452
Molecular FormulaC4H8O2Pr
Molecular Weight229.01 g/mol
Exact Mass228.96
IUPAC Namebutanoic acid;praseodymium
SMILESCCCC(=O)O.[Pr]
InChIInChI=1S/C4H8O2.Pr/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);
InChIKeyJWBHJMABIWLKMF-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 ≤ 500229.01
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 87408506
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CID 88693438
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Frequently Asked Questions

What is the IUPAC name of butanoic acid;praseodymium?
The IUPAC name of butanoic acid;praseodymium (CID 88777452) is butanoic acid;praseodymium.
What is the SMILES notation for butanoic acid;praseodymium?
The canonical SMILES for butanoic acid;praseodymium is CCCC(=O)O.[Pr].
What is the InChIKey of butanoic acid;praseodymium?
The InChIKey is JWBHJMABIWLKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.Pr/c1-2-3-4(5)6;/h2-3H2,1H3,(H,5,6);.
What are the key properties of butanoic acid;praseodymium?
butanoic acid;praseodymium has a molecular weight of 229.01 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;praseodymium is sourced from PubChem (CID 88777452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).