oxaldehydoyl 2-oxopropanoate

C5H4O5 — CID 54511142

IUPACoxaldehydoyl 2-oxopropanoate
SMILESCC(=O)C(=O)OC(=O)C=O
InChIInChI=1S/C5H4O5/c1-3(7)5(9)10-4(8)2-6/h2H,1H3
InChIKeyYJFAIHRMUCIZLP-UHFFFAOYSA-N
MW144.08 g/mol
LogP-1.16
Rot. Bonds2

About oxaldehydoyl 2-oxopropanoate

oxaldehydoyl 2-oxopropanoate (PubChem CID 54511142) has the molecular formula C5H4O5 and a molecular weight of 144.08 g/mol. Its IUPAC name is oxaldehydoyl 2-oxopropanoate.

Molecular Properties

Compound Nameoxaldehydoyl 2-oxopropanoate
PubChem CID54511142
Molecular FormulaC5H4O5
Molecular Weight144.08 g/mol
Exact Mass144.01
IUPAC Nameoxaldehydoyl 2-oxopropanoate
SMILESCC(=O)C(=O)OC(=O)C=O
InChIInChI=1S/C5H4O5/c1-3(7)5(9)10-4(8)2-6/h2H,1H3
InChIKeyYJFAIHRMUCIZLP-UHFFFAOYSA-N
XLogP-1.16
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.08
LogP ≤ 5-1.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

oxaldehydoyl 2-methylprop-2-enoate
CID 87845932
acetyl 2-oxopropanoate;nickel
CID 160677893
acetyl 2-oxopropanoate;platinum(2+)
CID 159497532
acetyl 2-oxopropanoate;chromium
CID 160975167
formyl 2-oxopropanoate
CID 57478633
carbamoyl 2-oxoacetate
CID 139389967
calcium;acetyl 2-oxopropanoate;alumane;hydride
CID 174860382
oxaldehyde;2-oxopropanal
CID 22114514
molecular iodine;2-oxopropanal
CID 158647886
acetyl 2-oxopropanoate;trichloroalumane
CID 174672999
methanol;methyl 2-oxoacetate
CID 87864048
3-oxobut-1-enyl 2-oxopropanoate
CID 166771379

Frequently Asked Questions

What is the IUPAC name of oxaldehydoyl 2-oxopropanoate?
The IUPAC name of oxaldehydoyl 2-oxopropanoate (CID 54511142) is oxaldehydoyl 2-oxopropanoate.
What is the SMILES notation for oxaldehydoyl 2-oxopropanoate?
The canonical SMILES for oxaldehydoyl 2-oxopropanoate is CC(=O)C(=O)OC(=O)C=O.
What is the InChIKey of oxaldehydoyl 2-oxopropanoate?
The InChIKey is YJFAIHRMUCIZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O5/c1-3(7)5(9)10-4(8)2-6/h2H,1H3.
What are the key properties of oxaldehydoyl 2-oxopropanoate?
oxaldehydoyl 2-oxopropanoate has a molecular weight of 144.08 g/mol, XLogP of -1.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxaldehydoyl 2-oxopropanoate is sourced from PubChem (CID 54511142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).