2-acetyl-3-oxobutanal;rhodium

C6H8O3Rh — CID 175459599

IUPAC2-acetyl-3-oxobutanal;rhodium
SMILESCC(=O)C(C=O)C(C)=O.[Rh]
InChIInChI=1S/C6H8O3.Rh/c1-4(8)6(3-7)5(2)9;/h3,6H,1-2H3;
InChIKeyJFPZGTCFCRSDDV-UHFFFAOYSA-N
MW231.03 g/mol
LogP-0.02
Rot. Bonds3

About 2-acetyl-3-oxobutanal;rhodium

2-acetyl-3-oxobutanal;rhodium (PubChem CID 175459599) has the molecular formula C6H8O3Rh and a molecular weight of 231.03 g/mol. Its IUPAC name is 2-acetyl-3-oxobutanal;rhodium.

Molecular Properties

Compound Name2-acetyl-3-oxobutanal;rhodium
PubChem CID175459599
Molecular FormulaC6H8O3Rh
Molecular Weight231.03 g/mol
Exact Mass230.95
IUPAC Name2-acetyl-3-oxobutanal;rhodium
SMILESCC(=O)C(C=O)C(C)=O.[Rh]
InChIInChI=1S/C6H8O3.Rh/c1-4(8)6(3-7)5(2)9;/h3,6H,1-2H3;
InChIKeyJFPZGTCFCRSDDV-UHFFFAOYSA-N
XLogP-0.02
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.03
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-formyl-3-oxobutanamide
CID 45085336
2-acetyl-3-oxohexanal
CID 56620849
3-(methyliminomethyl)pentane-2,4-dione
CID 7156894
3-oxo-2-sulfanylbutanal
CID 18759412
2-formylpropanedioic acid
CID 22999737
lithium;2-chloro-3-oxobutanal;hydride
CID 173414321
acetic acid;formic acid;hydrogen peroxide
CID 172718921
N-(1-ethenylsulfanylethenyl)-2-formyl-N-methyl-3-oxobutanamide
CID 123587156
(2-formyl-3-oxobutanoyl)oxy-triphenylphosphanium
CID 57193931
acetic acid;formic acid;hydrate
CID 158162755
2-acetyl-4-oxopentanal
CID 87449777
acetic acid
CID 158444727

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-3-oxobutanal;rhodium?
The IUPAC name of 2-acetyl-3-oxobutanal;rhodium (CID 175459599) is 2-acetyl-3-oxobutanal;rhodium.
What is the SMILES notation for 2-acetyl-3-oxobutanal;rhodium?
The canonical SMILES for 2-acetyl-3-oxobutanal;rhodium is CC(=O)C(C=O)C(C)=O.[Rh].
What is the InChIKey of 2-acetyl-3-oxobutanal;rhodium?
The InChIKey is JFPZGTCFCRSDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O3.Rh/c1-4(8)6(3-7)5(2)9;/h3,6H,1-2H3;.
What are the key properties of 2-acetyl-3-oxobutanal;rhodium?
2-acetyl-3-oxobutanal;rhodium has a molecular weight of 231.03 g/mol, XLogP of -0.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-3-oxobutanal;rhodium is sourced from PubChem (CID 175459599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).