(8R)-1,8-dimethyl-6,7,8,9-tetrahydrobenzo[e][1]benzofuran
PubChem CID: 163027284
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| Topological Polar Surface Area | 13.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 237.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8R)-1,8-dimethyl-6,7,8,9-tetrahydrobenzo[e][1]benzofuran |
| Prediction Hob | 1.0 |
| Xlogp | 4.3 |
| Molecular Formula | C14H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SAZCYHYCQACRRN-SECBINFHSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -5.909 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.307 |
| Compound Name | (8R)-1,8-dimethyl-6,7,8,9-tetrahydrobenzo[e][1]benzofuran |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 200.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 200.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 200.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.247342199999999 |
| Inchi | InChI=1S/C14H16O/c1-9-3-4-11-5-6-13-14(12(11)7-9)10(2)8-15-13/h5-6,8-9H,3-4,7H2,1-2H3/t9-/m1/s1 |
| Smiles | C[C@@H]1CCC2=C(C1)C3=C(C=C2)OC=C3C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chloranthus Serratus (Plant) Rel Props:Source_db:cmaup_ingredients