Hexylbenzene
PubChem CID: 14109
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| Compound Synonyms | Hexylbenzene, 1-Phenylhexane, 1077-16-3, N-HEXYLBENZENE, Benzene, hexyl-, Hexane, 1-phenyl-, UNII-8E3D1A2BZP, 6-PHENYLHEXANE, EINECS 214-070-7, MFCD00009526, NSC 86141, NSC-86141, 8E3D1A2BZP, DTXSID8061476, 1phenylhexane, 1-hexylbenzene, 4-hexylbenzene, Benzene, hexyl, Hexane, 1phenyl, Hexylbenzene, 97%, Hexane, 1phenyl (8CI), DTXCID0033091, CHEBI:88569, Hexylbenzene, analytical standard, BAA07716, NSC86141, CCG-40547, AKOS009031351, Hexylbenzene, purum, >=98.0% (GC), AS-38216, DB-040780, CS-0196489, H0136, NS00023475, EN300-20866, Q24764675, 214-070-7, 3GZ |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 90.2 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | hexylbenzene |
| Prediction Hob | 1.0 |
| Xlogp | 5.5 |
| Molecular Formula | C12H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LTEQMZWBSYACLV-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -5.072 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.307 |
| Compound Name | Hexylbenzene |
| 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 | -4.3637112 |
| Inchi | InChI=1S/C12H18/c1-2-3-4-6-9-12-10-7-5-8-11-12/h5,7-8,10-11H,2-4,6,9H2,1H3 |
| Smiles | CCCCCCC1=CC=CC=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Capillaris (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Panax Quinquefolius (Plant) Rel Props:Source_db:cmaup_ingredients