Isobutyl methacrylate
PubChem CID: 7352
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| Compound Synonyms | Isobutyl methacrylate, 97-86-9, 2-methylpropyl 2-methylprop-2-enoate, 2-Propenoic acid, 2-methyl-, 2-methylpropyl ester, Methacrylic acid, isobutyl ester, Isobutyl 2-methyl-2-propenoate, 2-METHYLPROPYL METHACRYLATE, Methacrylic Acid Isobutyl Ester, NSC 18607, Isobutylester kyseliny methakrylove, Isobutyl .alpha.-methacrylate, Isobutyl .alpha.-methylacrylate, DTXSID3025461, V11534UYZ0, NSC-18607, Isobutyl Methacrylate (stabilized with HQ), Isobutyl 2-methylacrylate, DTXCID505461, MFCD00008931, Isobutyl alpha-methacrylate, CAS-97-86-9, Isobutyl alpha-methylacrylate, CCRIS 4829, HSDB 5312, EINECS 202-613-0, UN2283, 2-Methylpropyl 2-methyl-2-propenoate, BRN 1747595, Propenoic acid, 2-methyl, isobutyl ester, UNII-V11534UYZ0, Isobutylester kyseliny methakrylove [Czech], Blemmer IBMA, Isobutylmethacrylate, i-butyl methacrylate, iso-butyl methacrylate, EC 202-613-0, Isobutyl 2-methylacrylate #, Isobutyl methacrylate, 97%, SCHEMBL24562, MLS002152907, Isobutyl methacrylate, inhibited, CHEMBL1453087, HMS3039B08, NSC18607, ISOBUTYL METHACRYLATE [HSDB], Tox21_201568, Tox21_303327, BBL010919, MFCD00084435, STK801852, AKOS005622614, UN 2283, NCGC00091087-01, NCGC00091087-02, NCGC00256982-01, NCGC00259117-01, WLN: 1Y1 & 1OVY1 & U1, SMR001224512, VS-02749, Isobutyl Methacrylate, (stabilized with HQ), M0132, NS00001412, Q27291392, Isobutyl methacrylate, inhibited [UN2283] [Flammable liquid], InChI=1/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H |
|---|---|
| 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 | Wax monoesters |
| Deep Smiles | CCCOC=O)C=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 | 136.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylpropyl 2-methylprop-2-enoate |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 2.7 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H14O2 |
| Inchi Key | RUMACXVDVNRZJZ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | isobutyl methacrylate |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C(=O)OC |
| Compound Name | Isobutyl methacrylate |
| Exact Mass | 142.099 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 142.099 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 142.2 |
| 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/C8H14O2/c1-6(2)5-10-8(9)7(3)4/h6H,3,5H2,1-2,4H3 |
| Smiles | CC(C)COC(=O)C(=C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
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