(2R,4aS)-4a,8-dimethyl-7-methylidene-2-prop-1-en-2-yl-1,2,3,4,5,6-hexahydronaphthalene
PubChem CID: 163102181
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| Topological Polar Surface Area | 0.0 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 369.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,4aS)-4a,8-dimethyl-7-methylidene-2-prop-1-en-2-yl-1,2,3,4,5,6-hexahydronaphthalene |
| Prediction Hob | 0.0 |
| Xlogp | 4.8 |
| Molecular Formula | C16H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QLLSXMKDBKMBDT-GDBMZVCRSA-N |
| Fcsp3 | 0.625 |
| Logs | -4.692 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.87 |
| Compound Name | (2R,4aS)-4a,8-dimethyl-7-methylidene-2-prop-1-en-2-yl-1,2,3,4,5,6-hexahydronaphthalene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 216.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 216.36 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.114281599999999 |
| Inchi | InChI=1S/C16H24/c1-11(2)14-7-9-16(5)8-6-12(3)13(4)15(16)10-14/h14H,1,3,6-10H2,2,4-5H3/t14-,16-/m1/s1 |
| Smiles | CC1=C2C[C@@H](CC[C@]2(CCC1=C)C)C(=C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cyperus Rotundus (Plant) Rel Props:Source_db:cmaup_ingredients