Isobutylene
PubChem CID: 8255
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| Compound Synonyms | ISOBUTYLENE, Isobutene, 2-methylprop-1-ene, 2-Methylpropene, 115-11-7, 2-Methyl-1-propene, 2-Methylpropylene, 1,1-Dimethylethylene, 1-Propene, 2-methyl-, Isopropylidenemethylene, Methylpropene, gamma-Butylene, Propene, 2-methyl-, 1,1-Dimethylethene, iso-butene, i-butene, unsym. dimethylethylene, CCRIS 2281, HSDB 613, UNII-QA2LMR467H, EINECS 204-066-3, QA2LMR467H, 2-METHYL-D3-PROPENE, DTXSID9020748, CHEBI:43907, Isobutene (ca. 9% in Hexane), Isobutene (ca. 6% in Toluene), EC 204-066-3, MFCD00008898, Isobutene (ca. 8% in Dichloromethane), Isobutene (ca. 15% in Tetrahydrofuran), Isobutene (ca. 10% in Isopropyl Ether), 2-METHYL-D3-PROPENE-3,3,3-D3, 42278-27-3, sym-Dimethylethylene, 2-methyl-2-propene, UN1055, isobutylene, various grades, iso-butylene, Isobutene trimer, 2-Methylpropyline, .gamma.-Butylene, 2-methyl-l-propene, 2-methyl-2 propene, iso-C4H8, 2-Methylpropene, 99%, ISOBUTYLENE [MI], ISOBUTYLENE [HSDB], Unsymmetrical dimethylethylene, ISOBUTYLENE [WHO-DD], DTXCID90748, Propene, 2-methyl-, tetramer, 1,3-Propanediyl, 2-methylene-, DTXSID50164803, DTXSID601307041, 2-Methylpropene, purum, >=99.5%, AKOS000121111, UN 1055, FP168349, I0091, I0909, I0910, I0911, I1082, I1083, NS00007976, InChI=1/C4H8/c1-4(2)3/h1H2,2-3H, A803373, Q776976, 13001-05-3, 204-066-3 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Acyclic monoterpenoids |
| Deep Smiles | CC=C)C |
| Heavy Atom Count | 4.0 |
| Classyfire Class | Unsaturated hydrocarbons |
| Classyfire Subclass | Branched unsaturated hydrocarbons |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 23.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylprop-1-ene |
| Class | Unsaturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 2.1 |
| Superclass | Hydrocarbons |
| Subclass | Branched unsaturated hydrocarbons |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H8 |
| Inchi Key | VQTUBCCKSQIDNK-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1,1-Dimethylethylene, 2-Methylpropylene, Isobutene, Isobutylene, Isopropylidenemethylene, 2-Methylpropene, 2-Methyl propene, isobutylene |
| Esol Class | Very soluble |
| Functional Groups | C=C(C)C |
| Compound Name | Isobutylene |
| Kingdom | Organic compounds |
| Exact Mass | 56.0626 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 56.0626 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 56.11 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H8/c1-4(2)3/h1H2,2-3H3 |
| Smiles | CC(=C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Branched unsaturated hydrocarbons |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965