About 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid
2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid (PubChem CID 172847247) has the molecular formula C23H36O18P2
and a molecular weight of 662.47 g/mol. Its IUPAC name is 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid.
Molecular Properties
| Compound Name | 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid |
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| PubChem CID | 172847247 |
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| Molecular Formula | C23H36O18P2 |
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| Molecular Weight | 662.47 g/mol |
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| Exact Mass | 662.14 |
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| IUPAC Name | 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid |
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| SMILES | C=C(C)C(=O)O.C=C(C)C(=O)O.C=CC(=O)OCCOP(=O)(OCCOC(=O)C=C)OCCOC(=O)C=C.O=P(O)(O)O |
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| InChI | InChI=1S/C15H21O10P.2C4H6O2.H3O4P/c1-4-13(16)20-7-10-23-26(19,24-11-8-21-14(17)5-2)25-12-9-22-15(18)6-3;2*1-3(2)4(5)6;1-5(2,3)4/h4-6H,1-3,7-12H2;2*1H2,2H3,(H,5,6);(H3,1,2,3,4) |
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| InChIKey | XOXXQHZMHFDWSX-UHFFFAOYSA-N |
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| XLogP | 1.70 |
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| TPSA | 276.02 Ų |
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| H-Bond Donors | 5 |
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| H-Bond Acceptors | 13 |
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| Rotatable Bonds | 17 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 662.47 |
| LogP ≤ 5 | 1.70 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 13 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid?
The IUPAC name of 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid (CID 172847247) is 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid.
What is the SMILES notation for 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid?
The canonical SMILES for 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid is C=C(C)C(=O)O.C=C(C)C(=O)O.C=CC(=O)OCCOP(=O)(OCCOC(=O)C=C)OCCOC(=O)C=C.O=P(O)(O)O.
What is the InChIKey of 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid?
The InChIKey is XOXXQHZMHFDWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O10P.2C4H6O2.H3O4P/c1-4-13(16)20-7-10-23-26(19,24-11-8-21-14(17)5-2)25-12-9-22-15(18)6-3;2*1-3(2)4(5)6;1-5(2,3)4/h4-6H,1-3,7-12H2;2*1H2,2H3,(H,5,6);(H3,1,2,3,4).
What are the key properties of 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid?
2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid has a molecular weight of 662.47 g/mol, XLogP of 1.70, 17 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-prop-2-enoyloxyethoxy)phosphoryloxy]ethyl prop-2-enoate;bis(2-methylprop-2-enoic acid);phosphoric acid is sourced from PubChem (CID 172847247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).