2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol

C14H20O2S2Se6 — CID 11104667

IUPAC2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol
SMILESCC[Se]C1=C(SCCO)[Se]/C(=C2/[Se]C(SCCO)=C([Se]CC)[Se]2)[Se]1
InChIInChI=1S/C14H20O2S2Se6/c1-3-19-11-9(17-7-5-15)21-13(23-11)14-22-10(18-8-6-16)12(24-14)20-4-2/h15-16H,3-8H2,1-2H3/b14-13+
InChIKeyPKKPNEYDOLFACX-BUHFOSPRSA-N
MW758.21 g/mol
LogP0.95
Rot. Bonds10

About 2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol

2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol (PubChem CID 11104667) has the molecular formula C14H20O2S2Se6 and a molecular weight of 758.21 g/mol. Its IUPAC name is 2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol.

Molecular Properties

Compound Name2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol
PubChem CID11104667
Molecular FormulaC14H20O2S2Se6
Molecular Weight758.21 g/mol
Exact Mass763.59
IUPAC Name2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol
SMILESCC[Se]C1=C(SCCO)[Se]/C(=C2/[Se]C(SCCO)=C([Se]CC)[Se]2)[Se]1
InChIInChI=1S/C14H20O2S2Se6/c1-3-19-11-9(17-7-5-15)21-13(23-11)14-22-10(18-8-6-16)12(24-14)20-4-2/h15-16H,3-8H2,1-2H3/b14-13+
InChIKeyPKKPNEYDOLFACX-BUHFOSPRSA-N
XLogP0.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500758.21
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2E)-5-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol
CID 10865261
2-[[(2E)-4-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol
CID 10876086
2-[[(2E)-4-ethylsulfanyl-2-[4-ethylsulfanyl-5-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-5-yl]sulfanyl]ethanol
CID 11071882
2-[[(2E)-5-ethylselanyl-2-[5-ethylselanyl-4-(2-hydroxyethylsulfanyl)-1,3-thiaselenol-2-ylidene]-1,3-thiaselenol-4-yl]sulfanyl]ethanol
CID 11104311
2-[[(2E)-2-[4-(2-hydroxyethylsulfanyl)-5-methylsulfanyl-1,3-diselenol-2-ylidene]-5-methylsulfanyl-1,3-diselenol-4-yl]sulfanyl]ethanol
CID 11767392

Frequently Asked Questions

What is the IUPAC name of 2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol?
The IUPAC name of 2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol (CID 11104667) is 2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol.
What is the SMILES notation for 2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol?
The canonical SMILES for 2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol is CC[Se]C1=C(SCCO)[Se]/C(=C2/[Se]C(SCCO)=C([Se]CC)[Se]2)[Se]1.
What is the InChIKey of 2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol?
The InChIKey is PKKPNEYDOLFACX-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H20O2S2Se6/c1-3-19-11-9(17-7-5-15)21-13(23-11)14-22-10(18-8-6-16)12(24-14)20-4-2/h15-16H,3-8H2,1-2H3/b14-13+.
What are the key properties of 2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol?
2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol has a molecular weight of 758.21 g/mol, XLogP of 0.95, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-(2-hydroxyethylsulfanyl)-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethanol is sourced from PubChem (CID 11104667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).