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

C24H36O4S4Se4 — CID 10909030

IUPAC2-[2-[[(2E)-5-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane
SMILESCCSC1=C(SCCOC2CCCCO2)[Se]/C(=C2\[Se]C(SCC)=C(SCCOC3CCCCO3)[Se]2)[Se]1
InChIInChI=1S/C24H36O4S4Se4/c1-3-29-19-21(31-15-13-27-17-9-5-7-11-25-17)35-23(33-19)24-34-20(30-4-2)22(36-24)32-16-14-28-18-10-6-8-12-26-18/h17-18H,3-16H2,1-2H3/b24-23+
InChIKeyRCZWXUZHSOELOT-WCWDXBQESA-N
MW832.66 g/mol
LogP5.27
Rot. Bonds14

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

2-[2-[[(2E)-5-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane (PubChem CID 10909030) has the molecular formula C24H36O4S4Se4 and a molecular weight of 832.66 g/mol. Its IUPAC name is 2-[2-[[(2E)-5-ethylsulfanyl-2-[4-ethylsulfanyl-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-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane
PubChem CID10909030
Molecular FormulaC24H36O4S4Se4
Molecular Weight832.66 g/mol
Exact Mass835.82
IUPAC Name2-[2-[[(2E)-5-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane
SMILESCCSC1=C(SCCOC2CCCCO2)[Se]/C(=C2\[Se]C(SCC)=C(SCCOC3CCCCO3)[Se]2)[Se]1
InChIInChI=1S/C24H36O4S4Se4/c1-3-29-19-21(31-15-13-27-17-9-5-7-11-25-17)35-23(33-19)24-34-20(30-4-2)22(36-24)32-16-14-28-18-10-6-8-12-26-18/h17-18H,3-16H2,1-2H3/b24-23+
InChIKeyRCZWXUZHSOELOT-WCWDXBQESA-N
XLogP5.27
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.66
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-ethylsulfanyl-2-[4-ethylsulfanyl-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-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane (CID 10909030) is 2-[2-[[(2E)-5-ethylsulfanyl-2-[4-ethylsulfanyl-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-ethylsulfanyl-2-[4-ethylsulfanyl-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-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane is CCSC1=C(SCCOC2CCCCO2)[Se]/C(=C2\[Se]C(SCC)=C(SCCOC3CCCCO3)[Se]2)[Se]1.
What is the InChIKey of 2-[2-[[(2E)-5-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane?
The InChIKey is RCZWXUZHSOELOT-WCWDXBQESA-N. The full InChI is InChI=1S/C24H36O4S4Se4/c1-3-29-19-21(31-15-13-27-17-9-5-7-11-25-17)35-23(33-19)24-34-20(30-4-2)22(36-24)32-16-14-28-18-10-6-8-12-26-18/h17-18H,3-16H2,1-2H3/b24-23+.
What are the key properties of 2-[2-[[(2E)-5-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane?
2-[2-[[(2E)-5-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane has a molecular weight of 832.66 g/mol, XLogP of 5.27, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2E)-5-ethylsulfanyl-2-[4-ethylsulfanyl-5-[2-(oxan-2-yloxy)ethylsulfanyl]-1,3-diselenol-2-ylidene]-1,3-diselenol-4-yl]sulfanyl]ethoxy]oxane is sourced from PubChem (CID 10909030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).