2-ethyl-2-[1-[2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-3-ethylsulfanylpropoxy]propoxy]-4-methyl-1,3-dioxolane

C25H48O8S2 — CID 141395041

About 2-ethyl-2-[1-[2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-3-ethylsulfanylpropoxy]propoxy]-4-methyl-1,3-dioxolane

2-ethyl-2-[1-[2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-3-ethylsulfanylpropoxy]propoxy]-4-methyl-1,3-dioxolane (PubChem CID 141395041) has the molecular formula C25H48O8S2 and a molecular weight of 540.79 g/mol. Its IUPAC name is 2-ethyl-2-[1-[2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-3-ethylsulfanylpropoxy]propoxy]-4-methyl-1,3-dioxolane.

Molecular Properties

• Compound Name: 2-ethyl-2-[1-[2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-3-ethylsulfanylpropoxy]propoxy]-4-methyl-1,3-dioxolane
• PubChem CID: 141395041
• Molecular Formula: C25H48O8S2
• Molecular Weight: 540.79 g/mol
• Exact Mass: 540.28
• IUPAC Name: 2-ethyl-2-[1-[2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-3-ethylsulfanylpropoxy]propoxy]-4-methyl-1,3-dioxolane
• SMILES: CCSCC(COC(CC)OC1(CC)OCC(C)O1)SCCOC(CC)OC1(CC)OCC(C)O1
• InChI: InChI=1S/C25H48O8S2/c1-8-22(32-24(10-3)28-15-19(6)30-24)26-13-14-35-21(18-34-12-5)17-27-23(9-2)33-25(11-4)29-16-20(7)31-25/h19-23H,8-18H2,1-7H3
• InChIKey: UPJNZMAPVSVHRV-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 73.84 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 19
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	540.79
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[1-[2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-3-ethylsulfanylpropoxy]propoxy]-4-methyl-1,3-dioxolane?

The IUPAC name of 2-ethyl-2-[1-[2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-3-ethylsulfanylpropoxy]propoxy]-4-methyl-1,3-dioxolane (CID 141395041) is 2-ethyl-2-[1-[2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-3-ethylsulfanylpropoxy]propoxy]-4-methyl-1,3-dioxolane.

What is the SMILES notation for 2-ethyl-2-[1-[2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-3-ethylsulfanylpropoxy]propoxy]-4-methyl-1,3-dioxolane?

The canonical SMILES for 2-ethyl-2-[1-[2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-3-ethylsulfanylpropoxy]propoxy]-4-methyl-1,3-dioxolane is CCSCC(COC(CC)OC1(CC)OCC(C)O1)SCCOC(CC)OC1(CC)OCC(C)O1.

What is the InChIKey of 2-ethyl-2-[1-[2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-3-ethylsulfanylpropoxy]propoxy]-4-methyl-1,3-dioxolane?

The InChIKey is UPJNZMAPVSVHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H48O8S2/c1-8-22(32-24(10-3)28-15-19(6)30-24)26-13-14-35-21(18-34-12-5)17-27-23(9-2)33-25(11-4)29-16-20(7)31-25/h19-23H,8-18H2,1-7H3.

What are the key properties of 2-ethyl-2-[1-[2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-3-ethylsulfanylpropoxy]propoxy]-4-methyl-1,3-dioxolane?

2-ethyl-2-[1-[2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-3-ethylsulfanylpropoxy]propoxy]-4-methyl-1,3-dioxolane has a molecular weight of 540.79 g/mol, XLogP of 5.38, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-2-[1-[2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-3-ethylsulfanylpropoxy]propoxy]-4-methyl-1,3-dioxolane is sourced from PubChem (CID 141395041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).