2,5-Diisopropyl-p-xylene
PubChem CID: 25211
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| Compound Synonyms | 2,5-Diisopropyl-p-xylene, 10375-96-9, 1,4-dimethyl-2,5-di(propan-2-yl)benzene, p-Xylene, 2,5-diisopropyl-, 1,4-Diisopropyl-2,5-dimethylbenzene, 2,5-Diisopropyl-1,4-dimethylbenzene, Benzene, 1,4-dimethyl-2,5-bis(1-methylethyl)-, DTXSID90146042, NSC 84199, 1,4-Dimethyl-2,5-diisopropylbenzene, NSC84199, 1,5-diisopropylbenzene, p-Xylene,5-diisopropyl-, DTXCID4068533, NSC-84199, AKOS024323100, CS-0142120, Benzene,4-dimethyl-2,5-bis(1-methylethyl)-, 654-528-7 |
|---|---|
| Ghose Rule | True |
| 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 |
| Np Classifier Class | Menthane monoterpenoids |
| Deep Smiles | CCcccC)ccc6C)))CC)C))))))C |
| Heavy Atom Count | 14.0 |
| Classyfire Class | Prenol lipids |
| Scaffold Graph Node Level | C1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4-dimethyl-2,5-di(propan-2-yl)benzene |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 4.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H22 |
| Scaffold Graph Node Bond Level | c1ccccc1 |
| Inchi Key | MBEBPYJMHLBHDJ-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1,4-dimethyl-2,5-diisopropylbenzene |
| Esol Class | Moderately soluble |
| Compound Name | 2,5-Diisopropyl-p-xylene |
| Exact Mass | 190.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 190.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 190.32 |
| 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/C14H22/c1-9(2)13-7-12(6)14(10(3)4)8-11(13)5/h7-10H,1-6H3 |
| Smiles | CC1=CC(=C(C=C1C(C)C)C)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 Ginkgo Biloba (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279