2-Selanylbutanal

C4H7OSe — CID 78063646

IUPAC—
SMILESCCC([Se])C=O
InChIInChI=1S/C4H7OSe/c1-2-4(6)3-5/h3-4H,2H2,1H3
InChIKeyRCKDHVYXBKRRSC-UHFFFAOYSA-N
MW150.06 g/mol
LogP0.55
Rot. Bonds2

About 2-Selanylbutanal

2-Selanylbutanal (PubChem CID 78063646) has the molecular formula C4H7OSe and a molecular weight of 150.06 g/mol.

Molecular Properties

Compound Name2-Selanylbutanal
PubChem CID78063646
Molecular FormulaC4H7OSe
Molecular Weight150.06 g/mol
Exact Mass150.97
IUPAC Name—
SMILESCCC([Se])C=O
InChIInChI=1S/C4H7OSe/c1-2-4(6)3-5/h3-4H,2H2,1H3
InChIKeyRCKDHVYXBKRRSC-UHFFFAOYSA-N
XLogP0.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.06
LogP ≤ 50.55
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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Frequently Asked Questions

What is the IUPAC name of 2-Selanylbutanal?
The IUPAC name of 2-Selanylbutanal (CID 78063646) is not available.
What is the SMILES notation for 2-Selanylbutanal?
The canonical SMILES for 2-Selanylbutanal is CCC([Se])C=O.
What is the InChIKey of 2-Selanylbutanal?
The InChIKey is RCKDHVYXBKRRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7OSe/c1-2-4(6)3-5/h3-4H,2H2,1H3.
What are the key properties of 2-Selanylbutanal?
2-Selanylbutanal has a molecular weight of 150.06 g/mol, XLogP of 0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Selanylbutanal is sourced from PubChem (CID 78063646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).