About 2-bromopropanoyl bromide;[1-[2-(2-ethoxyethoxy)ethoxy]-1-oxopropan-2-yl] 2-hydroxypropanoate;2-(2-ethoxyethoxy)ethyl 2-[2-(2-bromopropanoyloxy)propanoyloxy]propanoate;methane
2-bromopropanoyl bromide;[1-[2-(2-ethoxyethoxy)ethoxy]-1-oxopropan-2-yl] 2-hydroxypropanoate;2-(2-ethoxyethoxy)ethyl 2-[2-(2-bromopropanoyloxy)propanoyloxy]propanoate;methane (PubChem CID 158128067) has the molecular formula C32H59Br3O16
and a molecular weight of 939.52 g/mol. Its IUPAC name is 2-bromopropanoyl bromide;[1-[2-(2-ethoxyethoxy)ethoxy]-1-oxopropan-2-yl] 2-hydroxypropanoate;2-(2-ethoxyethoxy)ethyl 2-[2-(2-bromopropanoyloxy)propanoyloxy]propanoate;methane.
Molecular Properties
| Compound Name | 2-bromopropanoyl bromide;[1-[2-(2-ethoxyethoxy)ethoxy]-1-oxopropan-2-yl] 2-hydroxypropanoate;2-(2-ethoxyethoxy)ethyl 2-[2-(2-bromopropanoyloxy)propanoyloxy]propanoate;methane |
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| PubChem CID | 158128067 |
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| Molecular Formula | C32H59Br3O16 |
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| Molecular Weight | 939.52 g/mol |
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| Exact Mass | 936.14 |
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| IUPAC Name | 2-bromopropanoyl bromide;[1-[2-(2-ethoxyethoxy)ethoxy]-1-oxopropan-2-yl] 2-hydroxypropanoate;2-(2-ethoxyethoxy)ethyl 2-[2-(2-bromopropanoyloxy)propanoyloxy]propanoate;methane |
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| SMILES | C.C.CC(Br)C(=O)Br.CCOCCOCCOC(=O)C(C)OC(=O)C(C)O.CCOCCOCCOC(=O)C(C)OC(=O)C(C)OC(=O)C(C)Br |
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| InChI | InChI=1S/C15H25BrO8.C12H22O7.C3H4Br2O.2CH4/c1-5-20-6-7-21-8-9-22-14(18)11(3)24-15(19)12(4)23-13(17)10(2)16;1-4-16-5-6-17-7-8-18-12(15)10(3)19-11(14)9(2)13;1-2(4)3(5)6;;/h10-12H,5-9H2,1-4H3;9-10,13H,4-8H2,1-3H3;2H,1H3;2*1H4 |
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| InChIKey | FSKWJJVALRJPHB-UHFFFAOYSA-N |
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| XLogP | 4.09 |
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| TPSA | 205.72 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 16 |
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| Rotatable Bonds | 23 |
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| Heavy Atoms | 51 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 939.52 |
| LogP ≤ 5 | 4.09 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 16 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'} |
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Analyze 2-bromopropanoyl bromide;[1-[2-(2-ethoxyethoxy)ethoxy]-1-oxopropan-2-yl] 2-hydroxypropanoate;2-(2-ethoxyethoxy)ethyl 2-[2-(2-bromopropanoyloxy)propanoyloxy]propanoate;methane with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-bromopropanoyl bromide;[1-[2-(2-ethoxyethoxy)ethoxy]-1-oxopropan-2-yl] 2-hydroxypropanoate;2-(2-ethoxyethoxy)ethyl 2-[2-(2-bromopropanoyloxy)propanoyloxy]propanoate;methane?
The IUPAC name of 2-bromopropanoyl bromide;[1-[2-(2-ethoxyethoxy)ethoxy]-1-oxopropan-2-yl] 2-hydroxypropanoate;2-(2-ethoxyethoxy)ethyl 2-[2-(2-bromopropanoyloxy)propanoyloxy]propanoate;methane (CID 158128067) is 2-bromopropanoyl bromide;[1-[2-(2-ethoxyethoxy)ethoxy]-1-oxopropan-2-yl] 2-hydroxypropanoate;2-(2-ethoxyethoxy)ethyl 2-[2-(2-bromopropanoyloxy)propanoyloxy]propanoate;methane.
What is the SMILES notation for 2-bromopropanoyl bromide;[1-[2-(2-ethoxyethoxy)ethoxy]-1-oxopropan-2-yl] 2-hydroxypropanoate;2-(2-ethoxyethoxy)ethyl 2-[2-(2-bromopropanoyloxy)propanoyloxy]propanoate;methane?
The canonical SMILES for 2-bromopropanoyl bromide;[1-[2-(2-ethoxyethoxy)ethoxy]-1-oxopropan-2-yl] 2-hydroxypropanoate;2-(2-ethoxyethoxy)ethyl 2-[2-(2-bromopropanoyloxy)propanoyloxy]propanoate;methane is C.C.CC(Br)C(=O)Br.CCOCCOCCOC(=O)C(C)OC(=O)C(C)O.CCOCCOCCOC(=O)C(C)OC(=O)C(C)OC(=O)C(C)Br.
What is the InChIKey of 2-bromopropanoyl bromide;[1-[2-(2-ethoxyethoxy)ethoxy]-1-oxopropan-2-yl] 2-hydroxypropanoate;2-(2-ethoxyethoxy)ethyl 2-[2-(2-bromopropanoyloxy)propanoyloxy]propanoate;methane?
The InChIKey is FSKWJJVALRJPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrO8.C12H22O7.C3H4Br2O.2CH4/c1-5-20-6-7-21-8-9-22-14(18)11(3)24-15(19)12(4)23-13(17)10(2)16;1-4-16-5-6-17-7-8-18-12(15)10(3)19-11(14)9(2)13;1-2(4)3(5)6;;/h10-12H,5-9H2,1-4H3;9-10,13H,4-8H2,1-3H3;2H,1H3;2*1H4.
What are the key properties of 2-bromopropanoyl bromide;[1-[2-(2-ethoxyethoxy)ethoxy]-1-oxopropan-2-yl] 2-hydroxypropanoate;2-(2-ethoxyethoxy)ethyl 2-[2-(2-bromopropanoyloxy)propanoyloxy]propanoate;methane?
2-bromopropanoyl bromide;[1-[2-(2-ethoxyethoxy)ethoxy]-1-oxopropan-2-yl] 2-hydroxypropanoate;2-(2-ethoxyethoxy)ethyl 2-[2-(2-bromopropanoyloxy)propanoyloxy]propanoate;methane has a molecular weight of 939.52 g/mol, XLogP of 4.09, 23 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopropanoyl bromide;[1-[2-(2-ethoxyethoxy)ethoxy]-1-oxopropan-2-yl] 2-hydroxypropanoate;2-(2-ethoxyethoxy)ethyl 2-[2-(2-bromopropanoyloxy)propanoyloxy]propanoate;methane is sourced from PubChem (CID 158128067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).