(4aS,8R,8aR)-8-ethenyl-5-methylidene-4,4a,6,7,8,8a-hexahydro-1H-naphthalene-2-carbaldehyde
PubChem CID: 14485906
Connections displayed (default: 10).
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 324.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (4aS,8R,8aR)-8-ethenyl-5-methylidene-4,4a,6,7,8,8a-hexahydro-1H-naphthalene-2-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C14H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FBMVYEDYYUAYIR-BFHYXJOUSA-N |
| Fcsp3 | 0.5 |
| Logs | -3.989 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.451 |
| Compound Name | (4aS,8R,8aR)-8-ethenyl-5-methylidene-4,4a,6,7,8,8a-hexahydro-1H-naphthalene-2-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 202.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7325414 |
| Inchi | InChI=1S/C14H18O/c1-3-12-6-4-10(2)13-7-5-11(9-15)8-14(12)13/h3,5,9,12-14H,1-2,4,6-8H2/t12-,13+,14+/m0/s1 |
| Smiles | C=C[C@H]1CCC(=C)[C@@H]2[C@@H]1CC(=CC2)C=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Araucaria Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cussonia Bancoensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Nicotiana Rustica (Plant) Rel Props:Source_db:cmaup_ingredients