3-methylselanylpropanal

C4H8OSe — CID 71339627

IUPAC3-methylselanylpropanal
SMILESC[Se]CCC=O
InChIInChI=1S/C4H8OSe/c1-6-4-2-3-5/h3H,2,4H2,1H3
InChIKeyXVQREFPMZFWTJZ-UHFFFAOYSA-N
MW151.07 g/mol
LogP0.75
Rot. Bonds3

About 3-methylselanylpropanal

3-methylselanylpropanal (PubChem CID 71339627) has the molecular formula C4H8OSe and a molecular weight of 151.07 g/mol. Its IUPAC name is 3-methylselanylpropanal.

Molecular Properties

Compound Name3-methylselanylpropanal
PubChem CID71339627
Molecular FormulaC4H8OSe
Molecular Weight151.07 g/mol
Exact Mass151.97
IUPAC Name3-methylselanylpropanal
SMILESC[Se]CCC=O
InChIInChI=1S/C4H8OSe/c1-6-4-2-3-5/h3H,2,4H2,1H3
InChIKeyXVQREFPMZFWTJZ-UHFFFAOYSA-N
XLogP0.75
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.07
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylselanylpropanal?
The IUPAC name of 3-methylselanylpropanal (CID 71339627) is 3-methylselanylpropanal.
What is the SMILES notation for 3-methylselanylpropanal?
The canonical SMILES for 3-methylselanylpropanal is C[Se]CCC=O.
What is the InChIKey of 3-methylselanylpropanal?
The InChIKey is XVQREFPMZFWTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OSe/c1-6-4-2-3-5/h3H,2,4H2,1H3.
What are the key properties of 3-methylselanylpropanal?
3-methylselanylpropanal has a molecular weight of 151.07 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylselanylpropanal is sourced from PubChem (CID 71339627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).