4-[3-[2-[2-[2-[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]-1,3-dioxolan-2-one

C20H34O10S2 — CID 155926820

About 4-[3-[2-[2-[2-[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]-1,3-dioxolan-2-one

4-[3-[2-[2-[2-[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]-1,3-dioxolan-2-one (PubChem CID 155926820) has the molecular formula C20H34O10S2 and a molecular weight of 498.62 g/mol. Its IUPAC name is 4-[3-[2-[2-[2-[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]-1,3-dioxolan-2-one.

Molecular Properties

• Compound Name: 4-[3-[2-[2-[2-[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]-1,3-dioxolan-2-one
• PubChem CID: 155926820
• Molecular Formula: C20H34O10S2
• Molecular Weight: 498.62 g/mol
• Exact Mass: 498.16
• IUPAC Name: 4-[3-[2-[2-[2-[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]-1,3-dioxolan-2-one
• SMILES: O=C1OCC(COCCCSCCOCCOCCSCCCOCC2COC(=O)O2)O1
• InChI: InChI=1S/C20H34O10S2/c21-19-27-15-17(29-19)13-25-3-1-9-31-11-7-23-5-6-24-8-12-32-10-2-4-26-14-18-16-28-20(22)30-18/h17-18H,1-16H2
• InChIKey: QUHZGAKHLLSMAS-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 107.98 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 21
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.62
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-[2-[2-[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]-1,3-dioxolan-2-one?

The IUPAC name of 4-[3-[2-[2-[2-[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]-1,3-dioxolan-2-one (CID 155926820) is 4-[3-[2-[2-[2-[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]-1,3-dioxolan-2-one.

What is the SMILES notation for 4-[3-[2-[2-[2-[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]-1,3-dioxolan-2-one?

The canonical SMILES for 4-[3-[2-[2-[2-[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]-1,3-dioxolan-2-one is O=C1OCC(COCCCSCCOCCOCCSCCCOCC2COC(=O)O2)O1.

What is the InChIKey of 4-[3-[2-[2-[2-[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]-1,3-dioxolan-2-one?

The InChIKey is QUHZGAKHLLSMAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O10S2/c21-19-27-15-17(29-19)13-25-3-1-9-31-11-7-23-5-6-24-8-12-32-10-2-4-26-14-18-16-28-20(22)30-18/h17-18H,1-16H2.

What are the key properties of 4-[3-[2-[2-[2-[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]-1,3-dioxolan-2-one?

4-[3-[2-[2-[2-[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]-1,3-dioxolan-2-one has a molecular weight of 498.62 g/mol, XLogP of 2.37, 21 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-[2-[2-[2-[3-[(2-oxo-1,3-dioxolan-4-yl)methoxy]propylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propoxymethyl]-1,3-dioxolan-2-one is sourced from PubChem (CID 155926820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).