2-ethyl-2-[1-[2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]butan-2-ylsulfanyl]ethoxy]propoxy]-4-methyl-1,3-dioxolane

C24H46O8S — CID 141441518

About 2-ethyl-2-[1-[2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]butan-2-ylsulfanyl]ethoxy]propoxy]-4-methyl-1,3-dioxolane

2-ethyl-2-[1-[2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]butan-2-ylsulfanyl]ethoxy]propoxy]-4-methyl-1,3-dioxolane (PubChem CID 141441518) has the molecular formula C24H46O8S and a molecular weight of 494.69 g/mol. Its IUPAC name is 2-ethyl-2-[1-[2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]butan-2-ylsulfanyl]ethoxy]propoxy]-4-methyl-1,3-dioxolane.

Molecular Properties

• Compound Name: 2-ethyl-2-[1-[2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]butan-2-ylsulfanyl]ethoxy]propoxy]-4-methyl-1,3-dioxolane
• PubChem CID: 141441518
• Molecular Formula: C24H46O8S
• Molecular Weight: 494.69 g/mol
• Exact Mass: 494.29
• IUPAC Name: 2-ethyl-2-[1-[2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]butan-2-ylsulfanyl]ethoxy]propoxy]-4-methyl-1,3-dioxolane
• SMILES: CCC(OCCSC(CC)COC(CC)OC1(CC)OCC(C)O1)OC1(CC)OCC(C)O1
• InChI: InChI=1S/C24H46O8S/c1-8-20(17-26-22(10-3)32-24(12-5)28-16-19(7)30-24)33-14-13-25-21(9-2)31-23(11-4)27-15-18(6)29-23/h18-22H,8-17H2,1-7H3
• InChIKey: FGPFNBRDLVHZKV-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 73.84 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 17
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.69
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]butan-2-ylsulfanyl]ethoxy]propoxy]-4-methyl-1,3-dioxolane?

The IUPAC name of 2-ethyl-2-[1-[2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]butan-2-ylsulfanyl]ethoxy]propoxy]-4-methyl-1,3-dioxolane (CID 141441518) is 2-ethyl-2-[1-[2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]butan-2-ylsulfanyl]ethoxy]propoxy]-4-methyl-1,3-dioxolane.

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

The canonical SMILES for 2-ethyl-2-[1-[2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]butan-2-ylsulfanyl]ethoxy]propoxy]-4-methyl-1,3-dioxolane is CCC(OCCSC(CC)COC(CC)OC1(CC)OCC(C)O1)OC1(CC)OCC(C)O1.

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

The InChIKey is FGPFNBRDLVHZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O8S/c1-8-20(17-26-22(10-3)32-24(12-5)28-16-19(7)30-24)33-14-13-25-21(9-2)31-23(11-4)27-15-18(6)29-23/h18-22H,8-17H2,1-7H3.

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

2-ethyl-2-[1-[2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]butan-2-ylsulfanyl]ethoxy]propoxy]-4-methyl-1,3-dioxolane has a molecular weight of 494.69 g/mol, XLogP of 5.03, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-2-[1-[2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]butan-2-ylsulfanyl]ethoxy]propoxy]-4-methyl-1,3-dioxolane is sourced from PubChem (CID 141441518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).