1,3-Dibutyl-2,5-dimethylbenzene
PubChem CID: 5316643
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dibutyl-2,5-dimethylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 6.4 |
| Molecular Formula | C16H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FJDUFBQNQIPVIP-UHFFFAOYSA-N |
| Fcsp3 | 0.625 |
| Logs | -4.147 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.924 |
| Compound Name | 1,3-Dibutyl-2,5-dimethylbenzene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 218.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 218.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.1137808 |
| Inchi | InChI=1S/C16H26/c1-5-7-9-15-11-13(3)12-16(14(15)4)10-8-6-2/h11-12H,5-10H2,1-4H3 |
| Smiles | CCCCC1=CC(=CC(=C1C)CCCC)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dryopteris Filix- (Plant) Rel Props:Source_db:cmaup_ingredients