2-ethyl-2-[1-[[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxymethyl]-1,4-dithian-1-yl]methoxy]propoxy]-4-methyl-1,3-dioxolane

C24H46O8S2 — CID 141395061

About 2-ethyl-2-[1-[[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxymethyl]-1,4-dithian-1-yl]methoxy]propoxy]-4-methyl-1,3-dioxolane

2-ethyl-2-[1-[[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxymethyl]-1,4-dithian-1-yl]methoxy]propoxy]-4-methyl-1,3-dioxolane (PubChem CID 141395061) has the molecular formula C24H46O8S2 and a molecular weight of 526.76 g/mol. Its IUPAC name is 2-ethyl-2-[1-[[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxymethyl]-1,4-dithian-1-yl]methoxy]propoxy]-4-methyl-1,3-dioxolane.

Molecular Properties

• Compound Name: 2-ethyl-2-[1-[[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxymethyl]-1,4-dithian-1-yl]methoxy]propoxy]-4-methyl-1,3-dioxolane
• PubChem CID: 141395061
• Molecular Formula: C24H46O8S2
• Molecular Weight: 526.76 g/mol
• Exact Mass: 526.26
• IUPAC Name: 2-ethyl-2-[1-[[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxymethyl]-1,4-dithian-1-yl]methoxy]propoxy]-4-methyl-1,3-dioxolane
• SMILES: CCC(OCS1(COC(CC)OC2(CC)OCC(C)O2)CCSCC1)OC1(CC)OCC(C)O1
• InChI: InChI=1S/C24H46O8S2/c1-7-21(31-23(9-3)27-15-19(5)29-23)25-17-34(13-11-33-12-14-34)18-26-22(8-2)32-24(10-4)28-16-20(6)30-24/h19-22H,7-18H2,1-6H3
• InChIKey: ZJQSUCJQNIHURT-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 73.84 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.76
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-ethyl-2-[1-[[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxymethyl]-1,4-dithian-1-yl]methoxy]propoxy]-4-methyl-1,3-dioxolane?

The IUPAC name of 2-ethyl-2-[1-[[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxymethyl]-1,4-dithian-1-yl]methoxy]propoxy]-4-methyl-1,3-dioxolane (CID 141395061) is 2-ethyl-2-[1-[[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxymethyl]-1,4-dithian-1-yl]methoxy]propoxy]-4-methyl-1,3-dioxolane.

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

The canonical SMILES for 2-ethyl-2-[1-[[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxymethyl]-1,4-dithian-1-yl]methoxy]propoxy]-4-methyl-1,3-dioxolane is CCC(OCS1(COC(CC)OC2(CC)OCC(C)O2)CCSCC1)OC1(CC)OCC(C)O1.

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

The InChIKey is ZJQSUCJQNIHURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O8S2/c1-7-21(31-23(9-3)27-15-19(5)29-23)25-17-34(13-11-33-12-14-34)18-26-22(8-2)32-24(10-4)28-16-20(6)30-24/h19-22H,7-18H2,1-6H3.

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

2-ethyl-2-[1-[[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxymethyl]-1,4-dithian-1-yl]methoxy]propoxy]-4-methyl-1,3-dioxolane has a molecular weight of 526.76 g/mol, XLogP of 4.99, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-2-[1-[[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxymethyl]-1,4-dithian-1-yl]methoxy]propoxy]-4-methyl-1,3-dioxolane is sourced from PubChem (CID 141395061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).