dimethyl(3-oxopropyl)selanium

C5H11OSe+ — CID 90659183

IUPACdimethyl(3-oxopropyl)selanium
SMILESC[Se+](C)CCC=O
InChIInChI=1S/C5H11OSe/c1-7(2)5-3-4-6/h4H,3,5H2,1-2H3/q+1
InChIKeyFGNDBYKOPHPOBA-UHFFFAOYSA-N
MW166.10 g/mol
LogP1.33
Rot. Bonds3

About dimethyl(3-oxopropyl)selanium

dimethyl(3-oxopropyl)selanium (PubChem CID 90659183) has the molecular formula C5H11OSe+ and a molecular weight of 166.10 g/mol. Its IUPAC name is dimethyl(3-oxopropyl)selanium.

Molecular Properties

Compound Namedimethyl(3-oxopropyl)selanium
PubChem CID90659183
Molecular FormulaC5H11OSe+
Molecular Weight166.10 g/mol
Exact Mass167.00
IUPAC Namedimethyl(3-oxopropyl)selanium
SMILESC[Se+](C)CCC=O
InChIInChI=1S/C5H11OSe/c1-7(2)5-3-4-6/h4H,3,5H2,1-2H3/q+1
InChIKeyFGNDBYKOPHPOBA-UHFFFAOYSA-N
XLogP1.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.10
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Butanal
CID 261
N-Butyraldehyde-D8
CID 12198210
3-(Methylselanyl)propanal
CID 71339627
Butanal-d
CID 12671974
Glyoxal propion-aldehyde
CID 19694734
Acetaldehyde propionaldehyde
CID 22450779
Formaldehyde acetaldehyde propionaldehyde
CID 88704216
2-(Methylselanyl)pentanal
CID 13047310
2,2-Dimethyl-3,3-bis(methylselanyl)propanal
CID 13515905
N-Butyraldehyde-2,2,3,3,4,4,4-d7
CID 16104428
Selenomalonaldehyde
CID 129868119
(2-Methyl-1-oxopropan-2-yl)selanyllithium
CID 135059925

Frequently Asked Questions

What is the IUPAC name of dimethyl(3-oxopropyl)selanium?
The IUPAC name of dimethyl(3-oxopropyl)selanium (CID 90659183) is dimethyl(3-oxopropyl)selanium.
What is the SMILES notation for dimethyl(3-oxopropyl)selanium?
The canonical SMILES for dimethyl(3-oxopropyl)selanium is C[Se+](C)CCC=O.
What is the InChIKey of dimethyl(3-oxopropyl)selanium?
The InChIKey is FGNDBYKOPHPOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11OSe/c1-7(2)5-3-4-6/h4H,3,5H2,1-2H3/q+1.
What are the key properties of dimethyl(3-oxopropyl)selanium?
dimethyl(3-oxopropyl)selanium has a molecular weight of 166.10 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(3-oxopropyl)selanium is sourced from PubChem (CID 90659183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).