About butyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
butyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate (PubChem CID 170852389) has the molecular formula C42H70O11Si
and a molecular weight of 779.10 g/mol. Its IUPAC name is butyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate.
Molecular Properties
| Compound Name | butyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate |
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| PubChem CID | 170852389 |
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| Molecular Formula | C42H70O11Si |
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| Molecular Weight | 779.10 g/mol |
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| Exact Mass | 778.47 |
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| IUPAC Name | butyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate |
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| SMILES | C=C(C)C(=O)OC.C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=CC(=O)OCC(CC)CCCC.C=Cc1ccccc1 |
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| InChI | InChI=1S/C11H20O2.C10H20O5Si.C8H14O2.C8H8.C5H8O2/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-4-5-6-10-8(9)7(2)3;1-2-8-6-4-3-5-7-8;1-4(2)5(6)7-3/h6,10H,3-5,7-9H2,1-2H3;1,6-8H2,2-5H3;2,4-6H2,1,3H3;2-7H,1H2;1H2,2-3H3 |
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| InChIKey | MVJPWWZOBGWLNF-UHFFFAOYSA-N |
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| XLogP | 9.28 |
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| TPSA | 132.89 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 11 |
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| Rotatable Bonds | 21 |
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| Heavy Atoms | 54 |
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| Complexity | — |
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Lipinski Rule of Five
3 violations
| Rule | Value |
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| MW ≤ 500 | 779.10 |
| LogP ≤ 5 | 9.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of butyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The IUPAC name of butyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate (CID 170852389) is butyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate.
What is the SMILES notation for butyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The canonical SMILES for butyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OCCCC.C=C(C)C(=O)OCCC[Si](OC)(OC)OC.C=CC(=O)OCC(CC)CCCC.C=Cc1ccccc1.
What is the InChIKey of butyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
The InChIKey is MVJPWWZOBGWLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.C10H20O5Si.C8H14O2.C8H8.C5H8O2/c1-4-7-8-10(5-2)9-13-11(12)6-3;1-9(2)10(11)15-7-6-8-16(12-3,13-4)14-5;1-4-5-6-10-8(9)7(2)3;1-2-8-6-4-3-5-7-8;1-4(2)5(6)7-3/h6,10H,3-5,7-9H2,1-2H3;1,6-8H2,2-5H3;2,4-6H2,1,3H3;2-7H,1H2;1H2,2-3H3.
What are the key properties of butyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate?
butyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate has a molecular weight of 779.10 g/mol, XLogP of 9.28, 21 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-methylprop-2-enoate;2-ethylhexyl prop-2-enoate;methyl 2-methylprop-2-enoate;styrene;3-trimethoxysilylpropyl 2-methylprop-2-enoate is sourced from PubChem (CID 170852389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).