2-methylselanylpentanal

C6H12OSe — CID 13047310

IUPAC2-methylselanylpentanal
SMILESCCCC(C=O)[Se]C
InChIInChI=1S/C6H12OSe/c1-3-4-6(5-7)8-2/h5-6H,3-4H2,1-2H3
InChIKeySNUZACCNYBCJQO-UHFFFAOYSA-N
MW179.12 g/mol
LogP1.53
Rot. Bonds4

About 2-methylselanylpentanal

2-methylselanylpentanal (PubChem CID 13047310) has the molecular formula C6H12OSe and a molecular weight of 179.12 g/mol. Its IUPAC name is 2-methylselanylpentanal.

Molecular Properties

Compound Name2-methylselanylpentanal
PubChem CID13047310
Molecular FormulaC6H12OSe
Molecular Weight179.12 g/mol
Exact Mass180.01
IUPAC Name2-methylselanylpentanal
SMILESCCCC(C=O)[Se]C
InChIInChI=1S/C6H12OSe/c1-3-4-6(5-7)8-2/h5-6H,3-4H2,1-2H3
InChIKeySNUZACCNYBCJQO-UHFFFAOYSA-N
XLogP1.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.12
LogP ≤ 51.53
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-methylselanylpentanal?
The IUPAC name of 2-methylselanylpentanal (CID 13047310) is 2-methylselanylpentanal.
What is the SMILES notation for 2-methylselanylpentanal?
The canonical SMILES for 2-methylselanylpentanal is CCCC(C=O)[Se]C.
What is the InChIKey of 2-methylselanylpentanal?
The InChIKey is SNUZACCNYBCJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12OSe/c1-3-4-6(5-7)8-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-methylselanylpentanal?
2-methylselanylpentanal has a molecular weight of 179.12 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylselanylpentanal is sourced from PubChem (CID 13047310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).