2-methylselanylacetaldehyde

C3H6OSe — CID 12933794

IUPAC2-methylselanylacetaldehyde
SMILESC[Se]CC=O
InChIInChI=1S/C3H6OSe/c1-5-3-2-4/h2H,3H2,1H3
InChIKeyKSVIVTFMTGYNTM-UHFFFAOYSA-N
MW137.04 g/mol
LogP0.36
Rot. Bonds2

About 2-methylselanylacetaldehyde

2-methylselanylacetaldehyde (PubChem CID 12933794) has the molecular formula C3H6OSe and a molecular weight of 137.04 g/mol. Its IUPAC name is 2-methylselanylacetaldehyde.

Molecular Properties

Compound Name2-methylselanylacetaldehyde
PubChem CID12933794
Molecular FormulaC3H6OSe
Molecular Weight137.04 g/mol
Exact Mass137.96
IUPAC Name2-methylselanylacetaldehyde
SMILESC[Se]CC=O
InChIInChI=1S/C3H6OSe/c1-5-3-2-4/h2H,3H2,1H3
InChIKeyKSVIVTFMTGYNTM-UHFFFAOYSA-N
XLogP0.36
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.04
LogP ≤ 50.36
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

Acetaldehyde
CID 177
(2H4)Acetaldehyde
CID 123124
Acetaldehyde-2,2,2-d3
CID 140625
Acetaldehyde-13C2
CID 10942333
Acetaldehyde-1-d
CID 123208
Deuteroacetaldehyde
CID 11434906
d2-Acetaldehyde
CID 12198040
CID 12198043
CID 12198043
Tritio-acetaldehyd
CID 53789371
1,2,2-Trideuterioethanone
CID 90740107
CID 12198041
CID 12198041
Selanylacetic aldehyde
CID 129757018

Frequently Asked Questions

What is the IUPAC name of 2-methylselanylacetaldehyde?
The IUPAC name of 2-methylselanylacetaldehyde (CID 12933794) is 2-methylselanylacetaldehyde.
What is the SMILES notation for 2-methylselanylacetaldehyde?
The canonical SMILES for 2-methylselanylacetaldehyde is C[Se]CC=O.
What is the InChIKey of 2-methylselanylacetaldehyde?
The InChIKey is KSVIVTFMTGYNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6OSe/c1-5-3-2-4/h2H,3H2,1H3.
What are the key properties of 2-methylselanylacetaldehyde?
2-methylselanylacetaldehyde has a molecular weight of 137.04 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylselanylacetaldehyde is sourced from PubChem (CID 12933794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).