Methallyl methacrylate
PubChem CID: 229993
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| Compound Synonyms | METHALLYL METHACRYLATE, 816-74-0, 2-methylprop-2-enyl 2-methylprop-2-enoate, 2-Methylallyl methacrylate, methallylmethacrylat, NSC24161, SCHEMBL587102, 2-Methyl-2-propenyl methacrylate, DTXSID20282088, TVBLIEXOPWWREN-UHFFFAOYSA-N, 2-Propenoic acid,2-methyl-, 2-methyl-2-propen-1-yl ester, NSC-24161, 2-Methyl-2-propen-1-ol methacrylate, Methacrylic acid, 2-methylallyl ester, AKOS006345447, 2-Methyl-2-propenyl 2-methylpropenoate, Allyl alcohol, 2-methyl-, methacrylate, 2-Propen-1-ol, 2-methyl-, methacrylate, DB-056549, NS00128138, 2-Propenoic acid, 2-methyl-, 2-methyl-2-propenyl ester, 2-Propenoic acid, 2-methyl-, 2-methyl-2-propen-1-yl ester |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | CC=C)COC=O)C=C)C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Carboxylic acid derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylprop-2-enyl 2-methylprop-2-enoate |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 2.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H12O2 |
| Inchi Key | TVBLIEXOPWWREN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | 2-methyl-2-propenyl methacrylate |
| Esol Class | Very soluble |
| Functional Groups | C=C(C)C, C=C(C)C(=O)OC |
| Compound Name | Methallyl methacrylate |
| Exact Mass | 140.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 140.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 140.18 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C8H12O2/c1-6(2)5-10-8(9)7(3)4/h1,3,5H2,2,4H3 |
| Smiles | CC(=C)COC(=O)C(=C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Chamaemelum Nobile (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712073