(2R,4aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene
PubChem CID: 11571984
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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 | 343.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,4aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C15H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LGRISOGTKBAJPA-UKRRQHHQSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.52 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.897 |
| Compound Name | (2R,4aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5-tetrahydro-1H-naphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 202.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9328142 |
| Inchi | InChI=1S/C15H22/c1-11(2)13-7-9-15(4)8-5-6-12(3)14(15)10-13/h5-6,13H,1,7-10H2,2-4H3/t13-,15-/m1/s1 |
| Smiles | CC1=C2C[C@@H](CC[C@]2(CC=C1)C)C(=C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Alopecuroides (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients