3,6-diethylbenzene-1,2-diselenolate

C10H12Se2-2 — CID 102009065

IUPAC3,6-diethylbenzene-1,2-diselenolate
SMILESCCc1ccc(CC)c([Se-])c1[Se-]
InChIInChI=1S/C10H14Se2/c1-3-7-5-6-8(4-2)10(12)9(7)11/h5-6,11-12H,3-4H2,1-2H3/p-2
InChIKeyOSHFPEGVOFOXDD-UHFFFAOYSA-L
MW290.13 g/mol
LogP0.40
Rot. Bonds2

About 3,6-diethylbenzene-1,2-diselenolate

3,6-diethylbenzene-1,2-diselenolate (PubChem CID 102009065) has the molecular formula C10H12Se2-2 and a molecular weight of 290.13 g/mol. Its IUPAC name is 3,6-diethylbenzene-1,2-diselenolate.

Molecular Properties

Compound Name3,6-diethylbenzene-1,2-diselenolate
PubChem CID102009065
Molecular FormulaC10H12Se2-2
Molecular Weight290.13 g/mol
Exact Mass291.93
IUPAC Name3,6-diethylbenzene-1,2-diselenolate
SMILESCCc1ccc(CC)c([Se-])c1[Se-]
InChIInChI=1S/C10H14Se2/c1-3-7-5-6-8(4-2)10(12)9(7)11/h5-6,11-12H,3-4H2,1-2H3/p-2
InChIKeyOSHFPEGVOFOXDD-UHFFFAOYSA-L
XLogP0.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.13
LogP ≤ 50.40
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 3,6-diethylbenzene-1,2-diselenolate?
The IUPAC name of 3,6-diethylbenzene-1,2-diselenolate (CID 102009065) is 3,6-diethylbenzene-1,2-diselenolate.
What is the SMILES notation for 3,6-diethylbenzene-1,2-diselenolate?
The canonical SMILES for 3,6-diethylbenzene-1,2-diselenolate is CCc1ccc(CC)c([Se-])c1[Se-].
What is the InChIKey of 3,6-diethylbenzene-1,2-diselenolate?
The InChIKey is OSHFPEGVOFOXDD-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H14Se2/c1-3-7-5-6-8(4-2)10(12)9(7)11/h5-6,11-12H,3-4H2,1-2H3/p-2.
What are the key properties of 3,6-diethylbenzene-1,2-diselenolate?
3,6-diethylbenzene-1,2-diselenolate has a molecular weight of 290.13 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethylbenzene-1,2-diselenolate is sourced from PubChem (CID 102009065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).