Isopentyl methacrylate
PubChem CID: 81788
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| Compound Synonyms | 7336-27-8, Isopentyl methacrylate, 3-Methylbutyl methacrylate, iso-amyl methacrylate, 3-methylbutyl 2-methylprop-2-enoate, ISO-AMYLMETHACRYLATE, U45UJM2CVB, isoamyl methacrylate, EINECS 230-849-4, NSC-32636, 2-Propenoic acid, 2-methyl-, 3-methylbutyl ester, DTXSID70223603, NSC 32636, ISOPENTYL ALCOHOL, METHACRYLATE, ISOPENTYL 2-METHYL-2-PROPENOATE, METHACRYLIC ACID, ISOPENTYL ESTER, UNII-U45UJM2CVB, SCHEMBL41669, DTXCID60146094, NSC32636, AKOS006344686, DB-055756, NS00037507, 230-849-4 |
|---|---|
| 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 | CCCCOC=O)C=C)C))))))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Carboxylic acids and derivatives |
| Classyfire Subclass | Carboxylic acid derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 148.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methylbutyl 2-methylprop-2-enoate |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 3.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C9H16O2 |
| Inchi Key | ULYIFEQRRINMJQ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 5.0 |
| Synonyms | isoamyl methacrylate |
| Esol Class | Soluble |
| Functional Groups | C=C(C)C(=O)OC |
| Compound Name | Isopentyl methacrylate |
| Exact Mass | 156.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 156.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 156.22 |
| 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/C9H16O2/c1-7(2)5-6-11-9(10)8(3)4/h7H,3,5-6H2,1-2,4H3 |
| Smiles | CC(C)CCOC(=O)C(=C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Chamaemelum Nobile (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2003.9712073