1,3,3-Trimethyl-2-vinyl-1-cyclohexene
PubChem CID: 584957
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| Compound Synonyms | 1,3,3-Trimethyl-2-vinyl-1-cyclohexene, ghl.PD_Mitscher_leg0.696, Cyclohexene, 2-ethenyl-1,3,3-trimethyl-, LWYKRZJSOCUPJG-UHFFFAOYSA-N, 1,3,3-Trimethyl-2-vinyl-1-cyclohexene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 194.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethenyl-1,3,3-trimethylcyclohexene |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C11H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LWYKRZJSOCUPJG-UHFFFAOYSA-N |
| Fcsp3 | 0.6363636363636364 |
| Logs | -4.73 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.029 |
| Compound Name | 1,3,3-Trimethyl-2-vinyl-1-cyclohexene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 150.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 150.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.923243 |
| Inchi | InChI=1S/C11H18/c1-5-10-9(2)7-6-8-11(10,3)4/h5H,1,6-8H2,2-4H3 |
| Smiles | CC1=C(C(CCC1)(C)C)C=C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients