(1S,2S,4R)-4-methyl-2-[(2S)-2-methylbutyl]-1-propan-2-ylcyclohexane
PubChem CID: 163005677
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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 | 171.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (1S,2S,4R)-4-methyl-2-[(2S)-2-methylbutyl]-1-propan-2-ylcyclohexane |
| Prediction Hob | 1.0 |
| Xlogp | 6.7 |
| Molecular Formula | C15H30 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XWSLVXPTZNNNQD-XGUBFFRZSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.597 |
| Rotatable Bond Count | 4.0 |
| Logd | 6.006 |
| Compound Name | (1S,2S,4R)-4-methyl-2-[(2S)-2-methylbutyl]-1-propan-2-ylcyclohexane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 210.235 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 210.235 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 210.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.0889109999999995 |
| Inchi | InChI=1S/C15H30/c1-6-12(4)9-14-10-13(5)7-8-15(14)11(2)3/h11-15H,6-10H2,1-5H3/t12-,13+,14-,15-/m0/s1 |
| Smiles | CC[C@H](C)C[C@H]1C[C@@H](CC[C@H]1C(C)C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Baliospermum Montanum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Erythroxylum Novogranatense (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Streblus Asper (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Swertia Patens (Plant) Rel Props:Source_db:cmaup_ingredients