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

C46H86O16S3 — CID 141395045

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

2-ethyl-2-[1-[2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-3-[3-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethoxy]propoxy]-4-methyl-1,3-dioxolane (PubChem CID 141395045) has the molecular formula C46H86O16S3 and a molecular weight of 991.38 g/mol. Its IUPAC name is 2-ethyl-2-[1-[2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-3-[3-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethoxy]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]-3-[3-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethoxy]propoxy]-4-methyl-1,3-dioxolane
• PubChem CID: 141395045
• Molecular Formula: C46H86O16S3
• Molecular Weight: 991.38 g/mol
• Exact Mass: 990.51
• IUPAC Name: 2-ethyl-2-[1-[2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-3-[3-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethoxy]propoxy]-4-methyl-1,3-dioxolane
• SMILES: CCC(OCCSC(COC(CC)OC1(CC)OCC(C)O1)CSCC(COC(CC)OC1(CC)OCC(C)O1)SCCOC(CC)OC1(CC)OCC(C)O1)OC1(CC)OCC(C)O1
• InChI: InChI=1S/C46H86O16S3/c1-13-39(59-43(17-5)51-25-33(9)55-43)47-21-23-64-37(29-49-41(15-3)61-45(19-7)53-27-35(11)57-45)31-63-32-38(30-50-42(16-4)62-46(20-8)54-28-36(12)58-46)65-24-22-48-40(14-2)60-44(18-6)52-26-34(10)56-44/h33-42H,13-32H2,1-12H3
• InChIKey: DFAVTYMUMAUJAT-UHFFFAOYSA-N
• XLogP: 9.00
• TPSA: 147.68 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 36
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	991.38
LogP ≤ 5	9.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

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]-3-[3-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethoxy]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]-3-[3-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethoxy]propoxy]-4-methyl-1,3-dioxolane (CID 141395045) is 2-ethyl-2-[1-[2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-3-[3-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethoxy]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]-3-[3-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethoxy]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]-3-[3-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethoxy]propoxy]-4-methyl-1,3-dioxolane is CCC(OCCSC(COC(CC)OC1(CC)OCC(C)O1)CSCC(COC(CC)OC1(CC)OCC(C)O1)SCCOC(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]-3-[3-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethoxy]propoxy]-4-methyl-1,3-dioxolane?

The InChIKey is DFAVTYMUMAUJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H86O16S3/c1-13-39(59-43(17-5)51-25-33(9)55-43)47-21-23-64-37(29-49-41(15-3)61-45(19-7)53-27-35(11)57-45)31-63-32-38(30-50-42(16-4)62-46(20-8)54-28-36(12)58-46)65-24-22-48-40(14-2)60-44(18-6)52-26-34(10)56-44/h33-42H,13-32H2,1-12H3.

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

2-ethyl-2-[1-[2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-3-[3-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethoxy]propoxy]-4-methyl-1,3-dioxolane has a molecular weight of 991.38 g/mol, XLogP of 9.00, 36 rotatable bonds, 0 hydrogen bond donors, and 19 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]-3-[3-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-2-[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propyl]sulfanylpropan-2-yl]sulfanylethoxy]propoxy]-4-methyl-1,3-dioxolane is sourced from PubChem (CID 141395045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).