(3S)-3-methyl-6-propan-2-ylidenecyclohexene
PubChem CID: 71385764
Connections displayed (default: 10).
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3S)-3-methyl-6-propan-2-ylidenecyclohexene |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C10H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CIPXOBMYVWRNLL-SECBINFHSA-N |
| Fcsp3 | 0.6 |
| Logs | -3.837 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.915 |
| Compound Name | (3S)-3-methyl-6-propan-2-ylidenecyclohexene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8959756 |
| Inchi | InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9H,5,7H2,1-3H3/t9-/m1/s1 |
| Smiles | C[C@H]1CCC(=C(C)C)C=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients