2-ethyl-2-[1-[1-[[5-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethoxymethyl]-1,4-dithian-2-yl]methoxy]ethoxy]propoxy]-4-methyl-1,3-dioxolane

C28H52O10S2 — CID 141395058

About 2-ethyl-2-[1-[1-[[5-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethoxymethyl]-1,4-dithian-2-yl]methoxy]ethoxy]propoxy]-4-methyl-1,3-dioxolane

2-ethyl-2-[1-[1-[[5-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethoxymethyl]-1,4-dithian-2-yl]methoxy]ethoxy]propoxy]-4-methyl-1,3-dioxolane (PubChem CID 141395058) has the molecular formula C28H52O10S2 and a molecular weight of 612.85 g/mol. Its IUPAC name is 2-ethyl-2-[1-[1-[[5-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethoxymethyl]-1,4-dithian-2-yl]methoxy]ethoxy]propoxy]-4-methyl-1,3-dioxolane.

Molecular Properties

• Compound Name: 2-ethyl-2-[1-[1-[[5-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethoxymethyl]-1,4-dithian-2-yl]methoxy]ethoxy]propoxy]-4-methyl-1,3-dioxolane
• PubChem CID: 141395058
• Molecular Formula: C28H52O10S2
• Molecular Weight: 612.85 g/mol
• Exact Mass: 612.30
• IUPAC Name: 2-ethyl-2-[1-[1-[[5-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethoxymethyl]-1,4-dithian-2-yl]methoxy]ethoxy]propoxy]-4-methyl-1,3-dioxolane
• SMILES: CCC(OC(C)OCC1CSC(COC(C)OC(CC)OC2(CC)OCC(C)O2)CS1)OC1(CC)OCC(C)O1
• InChI: InChI=1S/C28H52O10S2/c1-9-25(37-27(11-3)31-13-19(5)35-27)33-21(7)29-15-23-17-40-24(18-39-23)16-30-22(8)34-26(10-2)38-28(12-4)32-14-20(6)36-28/h19-26H,9-18H2,1-8H3
• InChIKey: BNEWZFKLZPFDMD-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 92.30 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	612.85
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-[[5-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethoxymethyl]-1,4-dithian-2-yl]methoxy]ethoxy]propoxy]-4-methyl-1,3-dioxolane?

The IUPAC name of 2-ethyl-2-[1-[1-[[5-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethoxymethyl]-1,4-dithian-2-yl]methoxy]ethoxy]propoxy]-4-methyl-1,3-dioxolane (CID 141395058) is 2-ethyl-2-[1-[1-[[5-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethoxymethyl]-1,4-dithian-2-yl]methoxy]ethoxy]propoxy]-4-methyl-1,3-dioxolane.

What is the SMILES notation for 2-ethyl-2-[1-[1-[[5-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethoxymethyl]-1,4-dithian-2-yl]methoxy]ethoxy]propoxy]-4-methyl-1,3-dioxolane?

The canonical SMILES for 2-ethyl-2-[1-[1-[[5-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethoxymethyl]-1,4-dithian-2-yl]methoxy]ethoxy]propoxy]-4-methyl-1,3-dioxolane is CCC(OC(C)OCC1CSC(COC(C)OC(CC)OC2(CC)OCC(C)O2)CS1)OC1(CC)OCC(C)O1.

What is the InChIKey of 2-ethyl-2-[1-[1-[[5-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethoxymethyl]-1,4-dithian-2-yl]methoxy]ethoxy]propoxy]-4-methyl-1,3-dioxolane?

The InChIKey is BNEWZFKLZPFDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52O10S2/c1-9-25(37-27(11-3)31-13-19(5)35-27)33-21(7)29-15-23-17-40-24(18-39-23)16-30-22(8)34-26(10-2)38-28(12-4)32-14-20(6)36-28/h19-26H,9-18H2,1-8H3.

What are the key properties of 2-ethyl-2-[1-[1-[[5-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethoxymethyl]-1,4-dithian-2-yl]methoxy]ethoxy]propoxy]-4-methyl-1,3-dioxolane?

2-ethyl-2-[1-[1-[[5-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethoxymethyl]-1,4-dithian-2-yl]methoxy]ethoxy]propoxy]-4-methyl-1,3-dioxolane has a molecular weight of 612.85 g/mol, XLogP of 5.47, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-2-[1-[1-[[5-[1-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethoxymethyl]-1,4-dithian-2-yl]methoxy]ethoxy]propoxy]-4-methyl-1,3-dioxolane is sourced from PubChem (CID 141395058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).