6,6,14-Trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17),13,15-pentaene
PubChem CID: 86257793
Connections displayed (default: 10).
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| Topological Polar Surface Area | 9.2 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 374.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6,6,14-trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17),13,15-pentaene |
| Prediction Hob | 1.0 |
| Xlogp | 5.8 |
| Molecular Formula | C19H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | KWIQOIUKKCNGFZ-UHFFFAOYSA-N |
| Fcsp3 | 0.4736842105263157 |
| Logs | -7.139 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.424 |
| Compound Name | 6,6,14-Trimethyl-10-oxatetracyclo[7.7.1.02,7.013,17]heptadeca-1,7,9(17),13,15-pentaene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 266.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 266.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 266.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.5092808 |
| Inchi | InChI=1S/C19H22O/c1-12-6-7-15-14-5-4-9-19(2,3)16(14)11-17-18(15)13(12)8-10-20-17/h6-7,11H,4-5,8-10H2,1-3H3 |
| Smiles | CC1=C2CCOC3=C2C(=C4CCCC(C4=C3)(C)C)C=C1 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Piptanthus Nanus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Prunus Yedoensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Viburnum Suspensum (Plant) Rel Props:Source_db:cmaup_ingredients