3-(methyldiselanyl)propanal

C4H8OSe2 — CID 101488345

IUPAC3-(methyldiselanyl)propanal
SMILESC[Se][Se]CCC=O
InChIInChI=1S/C4H8OSe2/c1-6-7-4-2-3-5/h3H,2,4H2,1H3
InChIKeyMPEXDOZSDXZAQF-UHFFFAOYSA-N
MW230.03 g/mol
LogP0.37
Rot. Bonds4

About 3-(methyldiselanyl)propanal

3-(methyldiselanyl)propanal (PubChem CID 101488345) has the molecular formula C4H8OSe2 and a molecular weight of 230.03 g/mol. Its IUPAC name is 3-(methyldiselanyl)propanal.

Molecular Properties

Compound Name3-(methyldiselanyl)propanal
PubChem CID101488345
Molecular FormulaC4H8OSe2
Molecular Weight230.03 g/mol
Exact Mass231.89
IUPAC Name3-(methyldiselanyl)propanal
SMILESC[Se][Se]CCC=O
InChIInChI=1S/C4H8OSe2/c1-6-7-4-2-3-5/h3H,2,4H2,1H3
InChIKeyMPEXDOZSDXZAQF-UHFFFAOYSA-N
XLogP0.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.03
LogP ≤ 50.37
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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Related Compounds

Butanal
CID 261
N-Butyraldehyde-D8
CID 12198210
3-Dimethylselenopropionaldehyde
CID 90659183
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

Frequently Asked Questions

What is the IUPAC name of 3-(methyldiselanyl)propanal?
The IUPAC name of 3-(methyldiselanyl)propanal (CID 101488345) is 3-(methyldiselanyl)propanal.
What is the SMILES notation for 3-(methyldiselanyl)propanal?
The canonical SMILES for 3-(methyldiselanyl)propanal is C[Se][Se]CCC=O.
What is the InChIKey of 3-(methyldiselanyl)propanal?
The InChIKey is MPEXDOZSDXZAQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8OSe2/c1-6-7-4-2-3-5/h3H,2,4H2,1H3.
What are the key properties of 3-(methyldiselanyl)propanal?
3-(methyldiselanyl)propanal has a molecular weight of 230.03 g/mol, XLogP of 0.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methyldiselanyl)propanal is sourced from PubChem (CID 101488345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).