1,3,5-Tri-tert-butylbenzene
PubChem CID: 15089
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| Compound Synonyms | 1,3,5-Tri-tert-butylbenzene, 1460-02-2, Benzene, 1,3,5-tris(1,1-dimethylethyl)-, 1,3,5-tritert-butylbenzene, 1,3,5-Tri-t-butylbenzene, Benzene, 1,3,5-tri-tert-butyl-, 1,3,5-Tri-tert-butylbenzene-2-D, EINECS 215-952-4, MFCD00008831, 1,3,5-Tris-(1,1-dimethylethyl)benzene, AI3-28799, DTXSID50163255, 107396-03-2, 1,3,5-tris(tert-butyl)benzene, 1,3,5-tritert-butyl-benzene, Z9HH57K5V2, 1,3,5-tri(tertbutyl) benzene, 1,3,5-tri-tert-butyl-benzene, DTXCID5085746, 1,3,5-TERT-BUTYLBENZENE, MFCD09869418, 1,3,5-Tri-tert-butylbenzene, 97%, AKOS015838111, CS-W012690, 1,3,5-tris(1,1-dimethylethyl)benzene, AS-15394, SY019084, SY246301, NS00024766, T1633, AB-131/40897118, Q63393709, 215-952-4 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 206.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,5-tritert-butylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 6.9 |
| Molecular Formula | C18H30 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GUFMBISUSZUUCB-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -6.677 |
| Rotatable Bond Count | 3.0 |
| Logd | 5.573 |
| Compound Name | 1,3,5-Tri-tert-butylbenzene |
| 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 | -5.788782266666666 |
| Inchi | InChI=1S/C18H30/c1-16(2,3)13-10-14(17(4,5)6)12-15(11-13)18(7,8)9/h10-12H,1-9H3 |
| Smiles | CC(C)(C)C1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Centipeda Minima (Plant) Rel Props:Source_db:cmaup_ingredients