1-Ethyl-4-isobutylbenzene
PubChem CID: 576929
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| Compound Synonyms | 1-Ethyl-4-isobutylbenzene, 1-ethyl-4-(2-methylpropyl)benzene, 100319-40-2, p-Isobutylethylbenzene, Benzene, 1-ethyl-4-(2-methylpropyl)-, MFCD08275587, Y4SL7ZD6Z3, 1-(4'-Isobutylphenyl)ethane, 1-Ethyl-4-isobutylbenzene #, Benzene, 1-ethyl-4-isobutyl-, DTXSID00341920, FMHWAAZOTFVMKR-UHFFFAOYSA-N, AKOS006287445, BS-45944, DB-250412, CS-0161702, D81530 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 107.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-ethyl-4-(2-methylpropyl)benzene |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C12H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FMHWAAZOTFVMKR-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -5.267 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.664 |
| Compound Name | 1-Ethyl-4-isobutylbenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 162.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 162.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 162.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4012112 |
| Inchi | InChI=1S/C12H18/c1-4-11-5-7-12(8-6-11)9-10(2)3/h5-8,10H,4,9H2,1-3H3 |
| Smiles | CCC1=CC=C(C=C1)CC(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Curcuma Longa (Plant) Rel Props:Source_db:cmaup_ingredients