1,3,5-tris(methylselanyl)benzene

C9H12Se3 — CID 173133111

IUPAC1,3,5-tris(methylselanyl)benzene
SMILESC[Se]c1cc([Se]C)cc([Se]C)c1
InChIInChI=1S/C9H12Se3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
InChIKeyLVZNZGMKLSQAOJ-UHFFFAOYSA-N
MW357.08 g/mol
LogP-0.18
Rot. Bonds3

About 1,3,5-tris(methylselanyl)benzene

1,3,5-tris(methylselanyl)benzene (PubChem CID 173133111) has the molecular formula C9H12Se3 and a molecular weight of 357.08 g/mol. Its IUPAC name is 1,3,5-tris(methylselanyl)benzene.

Molecular Properties

Compound Name1,3,5-tris(methylselanyl)benzene
PubChem CID173133111
Molecular FormulaC9H12Se3
Molecular Weight357.08 g/mol
Exact Mass359.84
IUPAC Name1,3,5-tris(methylselanyl)benzene
SMILESC[Se]c1cc([Se]C)cc([Se]C)c1
InChIInChI=1S/C9H12Se3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3
InChIKeyLVZNZGMKLSQAOJ-UHFFFAOYSA-N
XLogP-0.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.08
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-tris(methylselanyl)benzene?
The IUPAC name of 1,3,5-tris(methylselanyl)benzene (CID 173133111) is 1,3,5-tris(methylselanyl)benzene.
What is the SMILES notation for 1,3,5-tris(methylselanyl)benzene?
The canonical SMILES for 1,3,5-tris(methylselanyl)benzene is C[Se]c1cc([Se]C)cc([Se]C)c1.
What is the InChIKey of 1,3,5-tris(methylselanyl)benzene?
The InChIKey is LVZNZGMKLSQAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Se3/c1-10-7-4-8(11-2)6-9(5-7)12-3/h4-6H,1-3H3.
What are the key properties of 1,3,5-tris(methylselanyl)benzene?
1,3,5-tris(methylselanyl)benzene has a molecular weight of 357.08 g/mol, XLogP of -0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-tris(methylselanyl)benzene is sourced from PubChem (CID 173133111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).