Benzene, (1-propyloctyl)-
PubChem CID: 20654
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| Compound Synonyms | Benzene, (1-propyloctyl)-, 4-Phenylundecane, 4536-86-1, undecan-4-ylbenzene, Undecane, 4-phenyl-, DTXSID80874983, Benzene,(1-propyloctyl)-, (Undecan-4-yl)benzene, (1-Propyloctyl)benzene #, DTXCID001013107, NS00076514 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 155.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | undecan-4-ylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 7.4 |
| Molecular Formula | C17H28 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NSQAXMRLBNXEHK-UHFFFAOYSA-N |
| Fcsp3 | 0.6470588235294118 |
| Logs | -6.79 |
| Rotatable Bond Count | 9.0 |
| Logd | 5.26 |
| Compound Name | Benzene, (1-propyloctyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.219 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 232.219 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 232.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.7298246705882345 |
| Inchi | InChI=1S/C17H28/c1-3-5-6-7-9-13-16(12-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3 |
| Smiles | CCCCCCCC(CCC)C1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Raphanus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients