2,4,6-trimethylbenzeneselenolate

C9H11Se- — CID 13099944

IUPAC2,4,6-trimethylbenzeneselenolate
SMILESCc1cc(C)c([Se-])c(C)c1
InChIInChI=1S/C9H12Se/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3/p-1
InChIKeyGROORNXKUUGAIJ-UHFFFAOYSA-M
MW198.15 g/mol
LogP1.41
Rot. Bonds

About 2,4,6-trimethylbenzeneselenolate

2,4,6-trimethylbenzeneselenolate (PubChem CID 13099944) has the molecular formula C9H11Se- and a molecular weight of 198.15 g/mol. Its IUPAC name is 2,4,6-trimethylbenzeneselenolate.

Molecular Properties

Compound Name2,4,6-trimethylbenzeneselenolate
PubChem CID13099944
Molecular FormulaC9H11Se-
Molecular Weight198.15 g/mol
Exact Mass199.00
IUPAC Name2,4,6-trimethylbenzeneselenolate
SMILESCc1cc(C)c([Se-])c(C)c1
InChIInChI=1S/C9H12Se/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3/p-1
InChIKeyGROORNXKUUGAIJ-UHFFFAOYSA-M
XLogP1.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.15
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
CID 132518583
CID 174602937
CID 174602937
CID 171375446
CID 171375446
titanium;bis(1,3,5-trimethylbenzene)
CID 12633333
ethane;1,3,5-trimethylbenzene
CID 91530079
Hexamesitylcyclotrigermane
CID 11007522
cobalt;2,4,6-trimethylaniline
CID 159454360
(2,4,6-trimethylphenyl)-(2,4,6-trimethylphenyl)phosphanylidenephosphane
CID 23413764
1,3,5-trimethyl-2-[(2,4,6-trimethylphenyl)diselanyl]benzene
CID 522415
samarium(3+);tris(2,4,6-trimethylphenolate)
CID 101332383
1,1,2,2,3,3,4,4-octakis(2,4,6-trimethylphenyl)tetrasiletane
CID 71427220
1,3,5-trimethyl-2-(2,4,6-trimethylphenyl)tellanylbenzene
CID 11783500

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethylbenzeneselenolate?
The IUPAC name of 2,4,6-trimethylbenzeneselenolate (CID 13099944) is 2,4,6-trimethylbenzeneselenolate.
What is the SMILES notation for 2,4,6-trimethylbenzeneselenolate?
The canonical SMILES for 2,4,6-trimethylbenzeneselenolate is Cc1cc(C)c([Se-])c(C)c1.
What is the InChIKey of 2,4,6-trimethylbenzeneselenolate?
The InChIKey is GROORNXKUUGAIJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H12Se/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3/p-1.
What are the key properties of 2,4,6-trimethylbenzeneselenolate?
2,4,6-trimethylbenzeneselenolate has a molecular weight of 198.15 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethylbenzeneselenolate is sourced from PubChem (CID 13099944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).