(3S)-3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
PubChem CID: 12315493
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 264.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3S)-3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C15H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PHWISBHSBNDZDX-GJZGRUSLSA-N |
| Fcsp3 | 0.6 |
| Logs | -5.244 |
| Rotatable Bond Count | 4.0 |
| Logd | 4.66 |
| Compound Name | (3S)-3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 204.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 204.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 204.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.251313399999999 |
| Inchi | InChI=1S/C15H24/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8,10,14-15H,3,5,7,9,11H2,1-2,4H3/t14-,15-/m0/s1 |
| Smiles | C[C@@H](CCC=C(C)C)[C@@H]1CCC(=C)C=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients