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

C46H86O16S3 — CID 141441516

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

2-[1-[3-[2,2-bis[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-3-ethylsulfanylpropan-2-yl]sulfanylpropoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane (PubChem CID 141441516) has the molecular formula C46H86O16S3 and a molecular weight of 991.38 g/mol. Its IUPAC name is 2-[1-[3-[2,2-bis[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-3-ethylsulfanylpropan-2-yl]sulfanylpropoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane.

Molecular Properties

• Compound Name: 2-[1-[3-[2,2-bis[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-3-ethylsulfanylpropan-2-yl]sulfanylpropoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane
• PubChem CID: 141441516
• Molecular Formula: C46H86O16S3
• Molecular Weight: 991.38 g/mol
• Exact Mass: 990.51
• IUPAC Name: 2-[1-[3-[2,2-bis[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-3-ethylsulfanylpropan-2-yl]sulfanylpropoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane
• SMILES: CCSCC(COC(CC)OC1(CC)OCC(C)O1)SC(COC(CC)OC1(CC)OCC(C)O1)CSCC(OC(CC)OC1(CC)OCC(C)O1)OC(CC)OC1(CC)OCC(C)O1
• InChI: InChI=1S/C46H86O16S3/c1-14-38(59-43(18-5)49-23-32(10)55-43)47-27-36(29-63-22-9)65-37(28-48-39(15-2)60-44(19-6)50-24-33(11)56-44)30-64-31-42(53-40(16-3)61-45(20-7)51-25-34(12)57-45)54-41(17-4)62-46(21-8)52-26-35(13)58-46/h32-42H,14-31H2,1-13H3
• InChIKey: AROCKLKFFINDCT-UHFFFAOYSA-N
• XLogP: 9.34
• TPSA: 147.68 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 35
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	991.38
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-[1-[3-[2,2-bis[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-3-ethylsulfanylpropan-2-yl]sulfanylpropoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane (CID 141441516) is 2-[1-[3-[2,2-bis[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-3-ethylsulfanylpropan-2-yl]sulfanylpropoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane.

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

The canonical SMILES for 2-[1-[3-[2,2-bis[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-3-ethylsulfanylpropan-2-yl]sulfanylpropoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane is CCSCC(COC(CC)OC1(CC)OCC(C)O1)SC(COC(CC)OC1(CC)OCC(C)O1)CSCC(OC(CC)OC1(CC)OCC(C)O1)OC(CC)OC1(CC)OCC(C)O1.

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

The InChIKey is AROCKLKFFINDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H86O16S3/c1-14-38(59-43(18-5)49-23-32(10)55-43)47-27-36(29-63-22-9)65-37(28-48-39(15-2)60-44(19-6)50-24-33(11)56-44)30-64-31-42(53-40(16-3)61-45(20-7)51-25-34(12)57-45)54-41(17-4)62-46(21-8)52-26-35(13)58-46/h32-42H,14-31H2,1-13H3.

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

2-[1-[3-[2,2-bis[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-3-ethylsulfanylpropan-2-yl]sulfanylpropoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane has a molecular weight of 991.38 g/mol, XLogP of 9.34, 35 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[3-[2,2-bis[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]-2-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]-3-ethylsulfanylpropan-2-yl]sulfanylpropoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane is sourced from PubChem (CID 141441516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).