1,2,4-Trivinylcyclohexane
PubChem CID: 96529
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| Compound Synonyms | 1,2,4-Trivinylcyclohexane, 2855-27-8, Cyclohexane, 1,2,4-triethenyl-, 1,2,4-tris(ethenyl)cyclohexane, Cyclohexane, 1,2,4-trivinyl-, Cyclohexane-1,2,4-triyltris(ethylene), EINECS 220-668-9, UNII-A97D8Z94WJ, 1,2,4-triethenylcyclohexane, A97D8Z94WJ, NSC-78467, 1,2,4-trivinyl-cyclohexane, DTXSID80869516, NSC 78467, NSC78467, 1,4-Trivinylcyclohexane, Cyclohexane,2,4-trivinyl-, Cyclohexane,2,4-triethenyl-, Cyclohexane, 1,2,4triethenyl, DTXCID20817490, Cyclohexane1,2,4triyltris(ethylene), MFCD00001515, AKOS015903514, BS-22206, NS00048697, T0899, 1,2,4Trivinylcyclohexane, mixture of isomers, E85252, A876692, Q27273799 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 178.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,2,4-tris(ethenyl)cyclohexane |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C12H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KTRQRAQRHBLCSQ-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -4.928 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.884 |
| Compound Name | 1,2,4-Trivinylcyclohexane |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3697112 |
| Inchi | InChI=1S/C12H18/c1-4-10-7-8-11(5-2)12(6-3)9-10/h4-6,10-12H,1-3,7-9H2 |
| Smiles | C=CC1CCC(C(C1)C=C)C=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bupleurum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Bupleurum Falcatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Bupleurum Scorzonerifolium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all