λ2-plumbane;3-oxobutanal

C4H8O2Pb — CID 173391243

IUPACλ2-plumbane;3-oxobutanal
SMILESCC(=O)CC=O.[PbH2]
InChIInChI=1S/C4H6O2.Pb.2H/c1-4(6)2-3-5;;;/h3H,2H2,1H3;;;
InChIKeyOFJCBUNAFZYZKW-UHFFFAOYSA-N
MW295.31 g/mol
LogP-0.75
Rot. Bonds2

About λ2-plumbane;3-oxobutanal

λ2-plumbane;3-oxobutanal (PubChem CID 173391243) has the molecular formula C4H8O2Pb and a molecular weight of 295.31 g/mol. Its IUPAC name is λ2-plumbane;3-oxobutanal.

Molecular Properties

Compound Nameλ2-plumbane;3-oxobutanal
PubChem CID173391243
Molecular FormulaC4H8O2Pb
Molecular Weight295.31 g/mol
Exact Mass296.03
IUPAC Nameλ2-plumbane;3-oxobutanal
SMILESCC(=O)CC=O.[PbH2]
InChIInChI=1S/C4H6O2.Pb.2H/c1-4(6)2-3-5;;;/h3H,2H2,1H3;;;
InChIKeyOFJCBUNAFZYZKW-UHFFFAOYSA-N
XLogP-0.75
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

chromium;3-oxobutanal
CID 174605228
oct-4-ene-2,7-dione
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(Z)-6-oxohept-3-enal
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3,4-dioxohexanedial
CID 123634764
butan-2-one;methane;3-oxobutanal;pentane-2,4-dione;pent-4-en-2-one;propan-2-one
CID 158223681
acetic acid;propanal;hydrate
CID 160743945
(213C)pent-4-en-2-one
CID 173180315
3-methyl-7-oxooct-3-enal
CID 91303199
CID 59055624
CID 59055624
calcium;hydride;pent-4-en-2-one
CID 174750875
3-oxopropanoyl cyanide
CID 57085154
1-hydroxypropan-2-one;octahydrate
CID 173282716

Frequently Asked Questions

What is the IUPAC name of λ2-plumbane;3-oxobutanal?
The IUPAC name of λ2-plumbane;3-oxobutanal (CID 173391243) is λ2-plumbane;3-oxobutanal.
What is the SMILES notation for λ2-plumbane;3-oxobutanal?
The canonical SMILES for λ2-plumbane;3-oxobutanal is CC(=O)CC=O.[PbH2].
What is the InChIKey of λ2-plumbane;3-oxobutanal?
The InChIKey is OFJCBUNAFZYZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.Pb.2H/c1-4(6)2-3-5;;;/h3H,2H2,1H3;;;.
What are the key properties of λ2-plumbane;3-oxobutanal?
λ2-plumbane;3-oxobutanal has a molecular weight of 295.31 g/mol, XLogP of -0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for λ2-plumbane;3-oxobutanal is sourced from PubChem (CID 173391243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).