1,3,5-Triisopropylbenzene
PubChem CID: 12860
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| Compound Synonyms | 1,3,5-TRIISOPROPYLBENZENE, 717-74-8, 2,4,6-Triisopropylbenzene, 1,3,5-tri(propan-2-yl)benzene, Benzene, 1,3,5-tris(1-methylethyl)-, Benzene, 1,3,5-triisopropyl-, 1,3,5-tris(propan-2-yl)benzene, MFCD00008890, FR9Y346WPB, 27322-34-5, DTXSID4041232, 1,3,5-tris(1-methylethyl)benzene, NSC-403075, UNII-FR9Y346WPB, EINECS 211-941-3, NSC403075, NSC 403075, 1,5-Triisopropylbenzene, 2,6-Triisopropylbenzene, AI3-51088, EC 211-941-3, Benzene,3,5-triisopropyl-, 1,3,5-triiso-propylbenzene, 1,3,5-triisopropyl benzene, Benzene, tris(1-methylethyl)-, CHEMBL3187859, DTXCID2021232, 1,3,5-Triisopropylbenzene, 95%, Benzene,3,5-tris(1-methylethyl)-, EINECS 248-404-8, Tox21_301030, AKOS009156767, 1,3,5-TRIS(ISOPROPYL)BENZENE, CS-W013188, FT71043, HY-W012472, NCGC00248261-01, NCGC00254932-01, AS-58397, CAS-717-74-8, SY008928, DB-003851, NS00004311, T0458, EN300-39015, C93505, 1,3,5-Triisopropylbenzene, purum, >=95.0% (GC), Q27278148, F0001-2724, InChI=1/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,5-tri(propan-2-yl)benzene |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VUMCUSHVMYIRMB-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Logs | -6.102 |
| Rotatable Bond Count | 3.0 |
| Logd | 5.164 |
| Compound Name | 1,3,5-Triisopropylbenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.5440134 |
| Inchi | InChI=1S/C15H24/c1-10(2)13-7-14(11(3)4)9-15(8-13)12(5)6/h7-12H,1-6H3 |
| Smiles | CC(C)C1=CC(=CC(=C1)C(C)C)C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Leibnitzia Anandria (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all