(4aS,5R,8S,8aS)-5-methyl-8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbaldehyde
PubChem CID: 14606293
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 290.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (4aS,5R,8S,8aS)-5-methyl-8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbaldehyde |
| Prediction Hob | 0.0 |
| Xlogp | 4.4 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HHMDGGXYVUOCNT-UNQGMJICSA-N |
| Fcsp3 | 0.8 |
| Logs | -4.415 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.447 |
| Compound Name | (4aS,5R,8S,8aS)-5-methyl-8-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8399071999999994 |
| Inchi | InChI=1S/C15H24O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h8-11,13-15H,4-7H2,1-3H3/t11-,13+,14+,15+/m1/s1 |
| Smiles | C[C@@H]1CC[C@H]([C@H]2[C@H]1CCC(=C2)C=O)C(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Syringa Pinnafolia (Plant) Rel Props:Source_db:cmaup_ingredients