About 2-(2-acetyloxyethoxymethoxy)ethyl acetate;2-[2,3-bis(2-acetyloxyethoxy)propoxy]ethyl acetate;methoxymethyl acetate
2-(2-acetyloxyethoxymethoxy)ethyl acetate;2-[2,3-bis(2-acetyloxyethoxy)propoxy]ethyl acetate;methoxymethyl acetate (PubChem CID 54075812) has the molecular formula C28H50O18
and a molecular weight of 674.69 g/mol. Its IUPAC name is 2-(2-acetyloxyethoxymethoxy)ethyl acetate;2-[2,3-bis(2-acetyloxyethoxy)propoxy]ethyl acetate;methoxymethyl acetate.
Molecular Properties
| Compound Name | 2-(2-acetyloxyethoxymethoxy)ethyl acetate;2-[2,3-bis(2-acetyloxyethoxy)propoxy]ethyl acetate;methoxymethyl acetate |
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| PubChem CID | 54075812 |
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| Molecular Formula | C28H50O18 |
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| Molecular Weight | 674.69 g/mol |
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| Exact Mass | 674.30 |
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| IUPAC Name | 2-(2-acetyloxyethoxymethoxy)ethyl acetate;2-[2,3-bis(2-acetyloxyethoxy)propoxy]ethyl acetate;methoxymethyl acetate |
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| SMILES | CC(=O)OCCOCC(COCCOC(C)=O)OCCOC(C)=O.CC(=O)OCCOCOCCOC(C)=O.COCOC(C)=O |
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| InChI | InChI=1S/C15H26O9.C9H16O6.C4H8O3/c1-12(16)21-6-4-19-10-15(24-9-8-23-14(3)18)11-20-5-7-22-13(2)17;1-8(10)14-5-3-12-7-13-4-6-15-9(2)11;1-4(5)7-3-6-2/h15H,4-11H2,1-3H3;3-7H2,1-2H3;3H2,1-2H3 |
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| InChIKey | MJPABAMRJRDQNR-UHFFFAOYSA-N |
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| XLogP | 0.35 |
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| TPSA | 213.18 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 18 |
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| Rotatable Bonds | 24 |
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| Heavy Atoms | 46 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 674.69 |
| LogP ≤ 5 | 0.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
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'} |
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Frequently Asked Questions
What is the IUPAC name of 2-(2-acetyloxyethoxymethoxy)ethyl acetate;2-[2,3-bis(2-acetyloxyethoxy)propoxy]ethyl acetate;methoxymethyl acetate?
The IUPAC name of 2-(2-acetyloxyethoxymethoxy)ethyl acetate;2-[2,3-bis(2-acetyloxyethoxy)propoxy]ethyl acetate;methoxymethyl acetate (CID 54075812) is 2-(2-acetyloxyethoxymethoxy)ethyl acetate;2-[2,3-bis(2-acetyloxyethoxy)propoxy]ethyl acetate;methoxymethyl acetate.
What is the SMILES notation for 2-(2-acetyloxyethoxymethoxy)ethyl acetate;2-[2,3-bis(2-acetyloxyethoxy)propoxy]ethyl acetate;methoxymethyl acetate?
The canonical SMILES for 2-(2-acetyloxyethoxymethoxy)ethyl acetate;2-[2,3-bis(2-acetyloxyethoxy)propoxy]ethyl acetate;methoxymethyl acetate is CC(=O)OCCOCC(COCCOC(C)=O)OCCOC(C)=O.CC(=O)OCCOCOCCOC(C)=O.COCOC(C)=O.
What is the InChIKey of 2-(2-acetyloxyethoxymethoxy)ethyl acetate;2-[2,3-bis(2-acetyloxyethoxy)propoxy]ethyl acetate;methoxymethyl acetate?
The InChIKey is MJPABAMRJRDQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O9.C9H16O6.C4H8O3/c1-12(16)21-6-4-19-10-15(24-9-8-23-14(3)18)11-20-5-7-22-13(2)17;1-8(10)14-5-3-12-7-13-4-6-15-9(2)11;1-4(5)7-3-6-2/h15H,4-11H2,1-3H3;3-7H2,1-2H3;3H2,1-2H3.
What are the key properties of 2-(2-acetyloxyethoxymethoxy)ethyl acetate;2-[2,3-bis(2-acetyloxyethoxy)propoxy]ethyl acetate;methoxymethyl acetate?
2-(2-acetyloxyethoxymethoxy)ethyl acetate;2-[2,3-bis(2-acetyloxyethoxy)propoxy]ethyl acetate;methoxymethyl acetate has a molecular weight of 674.69 g/mol, XLogP of 0.35, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyloxyethoxymethoxy)ethyl acetate;2-[2,3-bis(2-acetyloxyethoxy)propoxy]ethyl acetate;methoxymethyl acetate is sourced from PubChem (CID 54075812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).