Benzene, (1-ethylnonyl)-
PubChem CID: 20655
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| Compound Synonyms | 3-Phenylundecane, Benzene, (1-ethylnonyl)-, 4536-87-2, undecan-3-ylbenzene, Undecane, 3-phenyl-, DTXSID20874982, 3Phenylundecane, (Undecan-3-yl)benzene, (1-Ethylnonyl)benzene #, DTXCID301013106, NS00095915 |
|---|---|
| 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-3-ylbenzene |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 7.4 |
| Is Pains | False |
| Molecular Formula | C17H28 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NVHBFHMWJJMQTG-UHFFFAOYSA-N |
| Fcsp3 | 0.6470588235294118 |
| Rotatable Bond Count | 9.0 |
| Compound Name | Benzene, (1-ethylnonyl)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 232.219 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| 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 | -5.692024670588235 |
| Inchi | InChI=1S/C17H28/c1-3-5-6-7-8-10-13-16(4-2)17-14-11-9-12-15-17/h9,11-12,14-16H,3-8,10,13H2,1-2H3 |
| Smiles | CCCCCCCCC(CC)C1=CC=CC=C1 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients