1,2,4,5-Tetraisopropylbenzene
PubChem CID: 69456
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| Compound Synonyms | 1,2,4,5-Tetraisopropylbenzene, 635-11-0, Benzene, 1,2,4,5-tetrakis(1-methylethyl)-, 1,2,4,5-tetra(propan-2-yl)benzene, 27322-46-9, Benzene, 1,2,4,5-tetraisopropyl-, Tetraisopropylbenzene, 1,2,4,5-tetrakis(1-methylethyl)benzene, UNII-7Z46U64B61, EINECS 211-227-1, NSC-81275, 7Z46U64B61, 1,2,4,5-tetrakis(propan-2-yl)benzene, NSC 81275, NSC81275, 1,4,5-Tetraisopropylbenzene, Benzene,2,4,5-tetraisopropyl-, DTXSID90870739, AKOS015889192, 1,2,4,5-Tetraisopropylbenzene, 96%, Benzene,2,4,5-tetrakis(1-methylethyl)-, DB-092805, NS00042004, Q27269059, 211-227-1 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 186.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,4,5-tetra(propan-2-yl)benzene |
| Prediction Hob | 1.0 |
| Xlogp | 6.4 |
| Molecular Formula | C18H30 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ROXLYQQDLJJEBE-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -6.428 |
| Rotatable Bond Count | 4.0 |
| Logd | 6.352 |
| Compound Name | 1,2,4,5-Tetraisopropylbenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 246.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 246.235 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 246.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.401482266666665 |
| Inchi | InChI=1S/C18H30/c1-11(2)15-9-17(13(5)6)18(14(7)8)10-16(15)12(3)4/h9-14H,1-8H3 |
| Smiles | CC(C)C1=CC(=C(C=C1C(C)C)C(C)C)C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chrysanthemum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients