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

C34H64O12S2 — CID 141395057

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

2-[1-[2,3-bis[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane (PubChem CID 141395057) has the molecular formula C34H64O12S2 and a molecular weight of 729.01 g/mol. Its IUPAC name is 2-[1-[2,3-bis[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane.

Molecular Properties

• Compound Name: 2-[1-[2,3-bis[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane
• PubChem CID: 141395057
• Molecular Formula: C34H64O12S2
• Molecular Weight: 729.01 g/mol
• Exact Mass: 728.38
• IUPAC Name: 2-[1-[2,3-bis[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane
• SMILES: CCC(OCCSCC(COC(CC)OC1(CC)OCC(C)O1)SCCOC(CC)OC1(CC)OCC(C)O1)OC1(CC)OCC(C)O1
• InChI: InChI=1S/C34H64O12S2/c1-10-29(44-32(13-4)38-20-25(7)41-32)35-16-18-47-24-28(23-37-31(12-3)46-34(15-6)40-22-27(9)43-34)48-19-17-36-30(11-2)45-33(14-5)39-21-26(8)42-33/h25-31H,10-24H2,1-9H3
• InChIKey: XVPLOUANLCZQFO-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 110.76 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 26
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	729.01
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

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

The IUPAC name of 2-[1-[2,3-bis[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane (CID 141395057) is 2-[1-[2,3-bis[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane.

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

The canonical SMILES for 2-[1-[2,3-bis[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane is CCC(OCCSCC(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-[1-[2,3-bis[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane?

The InChIKey is XVPLOUANLCZQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64O12S2/c1-10-29(44-32(13-4)38-20-25(7)41-32)35-16-18-47-24-28(23-37-31(12-3)46-34(15-6)40-22-27(9)43-34)48-19-17-36-30(11-2)45-33(14-5)39-21-26(8)42-33/h25-31H,10-24H2,1-9H3.

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

2-[1-[2,3-bis[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane has a molecular weight of 729.01 g/mol, XLogP of 6.63, 26 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2,3-bis[2-[1-[(2-ethyl-4-methyl-1,3-dioxolan-2-yl)oxy]propoxy]ethylsulfanyl]propoxy]propoxy]-2-ethyl-4-methyl-1,3-dioxolane is sourced from PubChem (CID 141395057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).