Benzene, 4-ethenyl-1,2-dimethyl-
PubChem CID: 33937
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Benzene, 4-ethenyl-1,2-dimethyl-, 27831-13-6, 4-ETHENYL-1,2-DIMETHYLBENZENE, 4-Vinyl-o-xylene, 3,4-Dimethylstyrene, Styrene, 3,4-dimethyl-, 1,2-Dimethyl-4-vinylbenzene, 4-ethenyl-1,2-dimethyl-benzene, CHEBI:143854, DTXSID50182148, 3,4-dimethyl-1-ethenylbenzene, DTXCID60104639, CBA83113, AKOS013991708, EN300-247182, G40285, 856-734-4 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Deep Smiles | C=Ccccccc6)C))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Styrenes |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 115.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-ethenyl-1,2-dimethylbenzene |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H12 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | PMZXJPLGCUVUDN-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 3-4-dimethylstyrene |
| Esol Class | Soluble |
| Functional Groups | cC=C |
| Compound Name | Benzene, 4-ethenyl-1,2-dimethyl- |
| Exact Mass | 132.094 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 132.094 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 132.2 |
| Gi Absorption | False |
| 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/C10H12/c1-4-10-6-5-8(2)9(3)7-10/h4-7H,1H2,2-3H3 |
| Smiles | CC1=C(C=C(C=C1)C=C)C |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Dysphania Ambrosioides (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2019.1588171