2-[2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane

C24H36O4S2Se6 — CID 10931017

IUPAC2-[2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane
SMILESCC[Se]C1=C(SCCOC2CCCCO2)[Se]/C(=C2/[Se]C(SCCOC3CCCCO3)=C([Se]CC)[Se]2)[Se]1
InChIInChI=1S/C24H36O4S2Se6/c1-3-31-21-19(29-15-13-27-17-9-5-7-11-25-17)33-23(35-21)24-34-20(22(36-24)32-4-2)30-16-14-28-18-10-6-8-12-26-18/h17-18H,3-16H2,1-2H3/b24-23+
InChIKeyBXQYQTWVECNBMG-WCWDXBQESA-N
MW926.44 g/mol
LogP4.05
Rot. Bonds14

About 2-[2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane

2-[2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane (PubChem CID 10931017) has the molecular formula C24H36O4S2Se6 and a molecular weight of 926.44 g/mol. Its IUPAC name is 2-[2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane.

Molecular Properties

Compound Name2-[2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane
PubChem CID10931017
Molecular FormulaC24H36O4S2Se6
Molecular Weight926.44 g/mol
Exact Mass931.70
IUPAC Name2-[2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane
SMILESCC[Se]C1=C(SCCOC2CCCCO2)[Se]/C(=C2/[Se]C(SCCOC3CCCCO3)=C([Se]CC)[Se]2)[Se]1
InChIInChI=1S/C24H36O4S2Se6/c1-3-31-21-19(29-15-13-27-17-9-5-7-11-25-17)33-23(35-21)24-34-20(22(36-24)32-4-2)30-16-14-28-18-10-6-8-12-26-18/h17-18H,3-16H2,1-2H3/b24-23+
InChIKeyBXQYQTWVECNBMG-WCWDXBQESA-N
XLogP4.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500926.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane?
The IUPAC name of 2-[2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane (CID 10931017) is 2-[2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane.
What is the SMILES notation for 2-[2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane?
The canonical SMILES for 2-[2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane is CC[Se]C1=C(SCCOC2CCCCO2)[Se]/C(=C2/[Se]C(SCCOC3CCCCO3)=C([Se]CC)[Se]2)[Se]1.
What is the InChIKey of 2-[2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane?
The InChIKey is BXQYQTWVECNBMG-WCWDXBQESA-N. The full InChI is InChI=1S/C24H36O4S2Se6/c1-3-31-21-19(29-15-13-27-17-9-5-7-11-25-17)33-23(35-21)24-34-20(22(36-24)32-4-2)30-16-14-28-18-10-6-8-12-26-18/h17-18H,3-16H2,1-2H3/b24-23+.
What are the key properties of 2-[2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane?
2-[2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane has a molecular weight of 926.44 g/mol, XLogP of 4.05, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2E)-5-ethylselanyl-2-[4-ethylselanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane is sourced from PubChem (CID 10931017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).