bis[(2-methoxyacetyl)oxy]methyl 2-methoxyacetate;bis[[2-(2-methoxyethoxy)acetyl]oxy]methyl 2-(2-methoxyethoxy)acetate;bis[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy]methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate

C48H84O36 — CID 161242191

About bis[(2-methoxyacetyl)oxy]methyl 2-methoxyacetate;bis[[2-(2-methoxyethoxy)acetyl]oxy]methyl 2-(2-methoxyethoxy)acetate;bis[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy]methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate

bis[(2-methoxyacetyl)oxy]methyl 2-methoxyacetate;bis[[2-(2-methoxyethoxy)acetyl]oxy]methyl 2-(2-methoxyethoxy)acetate;bis[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy]methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate (PubChem CID 161242191) has the molecular formula C48H84O36 and a molecular weight of 1237.16 g/mol. Its IUPAC name is bis[(2-methoxyacetyl)oxy]methyl 2-methoxyacetate;bis[[2-(2-methoxyethoxy)acetyl]oxy]methyl 2-(2-methoxyethoxy)acetate;bis[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy]methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate.

Molecular Properties

• Compound Name: bis[(2-methoxyacetyl)oxy]methyl 2-methoxyacetate;bis[[2-(2-methoxyethoxy)acetyl]oxy]methyl 2-(2-methoxyethoxy)acetate;bis[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy]methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
• PubChem CID: 161242191
• Molecular Formula: C48H84O36
• Molecular Weight: 1237.16 g/mol
• Exact Mass: 1236.47
• IUPAC Name: bis[(2-methoxyacetyl)oxy]methyl 2-methoxyacetate;bis[[2-(2-methoxyethoxy)acetyl]oxy]methyl 2-(2-methoxyethoxy)acetate;bis[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy]methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate
• SMILES: COCC(=O)OC(OC(=O)COC)OC(=O)COC.COCCOCC(=O)OC(OC(=O)COCCOC)OC(=O)COCCOC.COCCOCCOCC(=O)OC(OC(=O)COCCOCCOC)OC(=O)COCCOCCOC
• InChI: InChI=1S/C22H40O15.C16H28O12.C10H16O9/c1-26-4-7-29-10-13-32-16-19(23)35-22(36-20(24)17-33-14-11-30-8-5-27-2)37-21(25)18-34-15-12-31-9-6-28-3;1-20-4-7-23-10-13(17)26-16(27-14(18)11-24-8-5-21-2)28-15(19)12-25-9-6-22-3;1-14-4-7(11)17-10(18-8(12)5-15-2)19-9(13)6-16-3/h22H,4-18H2,1-3H3;16H,4-12H2,1-3H3;10H,4-6H2,1-3H3
• InChIKey: VADSYJUNGAWAMS-UHFFFAOYSA-N
• XLogP: -3.33
• TPSA: 402.84 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 54
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1237.16
LogP ≤ 5	-3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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 bis[(2-methoxyacetyl)oxy]methyl 2-methoxyacetate;bis[[2-(2-methoxyethoxy)acetyl]oxy]methyl 2-(2-methoxyethoxy)acetate;bis[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy]methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate?

The IUPAC name of bis[(2-methoxyacetyl)oxy]methyl 2-methoxyacetate;bis[[2-(2-methoxyethoxy)acetyl]oxy]methyl 2-(2-methoxyethoxy)acetate;bis[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy]methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate (CID 161242191) is bis[(2-methoxyacetyl)oxy]methyl 2-methoxyacetate;bis[[2-(2-methoxyethoxy)acetyl]oxy]methyl 2-(2-methoxyethoxy)acetate;bis[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy]methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate.

What is the SMILES notation for bis[(2-methoxyacetyl)oxy]methyl 2-methoxyacetate;bis[[2-(2-methoxyethoxy)acetyl]oxy]methyl 2-(2-methoxyethoxy)acetate;bis[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy]methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate?

The canonical SMILES for bis[(2-methoxyacetyl)oxy]methyl 2-methoxyacetate;bis[[2-(2-methoxyethoxy)acetyl]oxy]methyl 2-(2-methoxyethoxy)acetate;bis[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy]methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate is COCC(=O)OC(OC(=O)COC)OC(=O)COC.COCCOCC(=O)OC(OC(=O)COCCOC)OC(=O)COCCOC.COCCOCCOCC(=O)OC(OC(=O)COCCOCCOC)OC(=O)COCCOCCOC.

What is the InChIKey of bis[(2-methoxyacetyl)oxy]methyl 2-methoxyacetate;bis[[2-(2-methoxyethoxy)acetyl]oxy]methyl 2-(2-methoxyethoxy)acetate;bis[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy]methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate?

The InChIKey is VADSYJUNGAWAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40O15.C16H28O12.C10H16O9/c1-26-4-7-29-10-13-32-16-19(23)35-22(36-20(24)17-33-14-11-30-8-5-27-2)37-21(25)18-34-15-12-31-9-6-28-3;1-20-4-7-23-10-13(17)26-16(27-14(18)11-24-8-5-21-2)28-15(19)12-25-9-6-22-3;1-14-4-7(11)17-10(18-8(12)5-15-2)19-9(13)6-16-3/h22H,4-18H2,1-3H3;16H,4-12H2,1-3H3;10H,4-6H2,1-3H3.

What are the key properties of bis[(2-methoxyacetyl)oxy]methyl 2-methoxyacetate;bis[[2-(2-methoxyethoxy)acetyl]oxy]methyl 2-(2-methoxyethoxy)acetate;bis[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy]methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate?

bis[(2-methoxyacetyl)oxy]methyl 2-methoxyacetate;bis[[2-(2-methoxyethoxy)acetyl]oxy]methyl 2-(2-methoxyethoxy)acetate;bis[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy]methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate has a molecular weight of 1237.16 g/mol, XLogP of -3.33, 54 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for bis[(2-methoxyacetyl)oxy]methyl 2-methoxyacetate;bis[[2-(2-methoxyethoxy)acetyl]oxy]methyl 2-(2-methoxyethoxy)acetate;bis[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]oxy]methyl 2-[2-(2-methoxyethoxy)ethoxy]acetate is sourced from PubChem (CID 161242191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).