(5r)-6,7,8,9-Tetrahydro-2,5,9,9-tetramethyl-5h-benzocycloheptene
PubChem CID: 11469749
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (5r)-6,7,8,9-tetrahydro-2,5,9,9-tetramethyl-5h-benzocycloheptene |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 216.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (9R)-3,5,5,9-tetramethyl-6,7,8,9-tetrahydrobenzo[7]annulene |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C15H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RIHWULAZACSXEV-GFCCVEGCSA-N |
| Fcsp3 | 0.6 |
| Logs | -6.104 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.678 |
| Compound Name | (5r)-6,7,8,9-Tetrahydro-2,5,9,9-tetramethyl-5h-benzocycloheptene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 202.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 202.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 202.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.7988142 |
| Inchi | InChI=1S/C15H22/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h7-8,10,12H,5-6,9H2,1-4H3/t12-/m1/s1 |
| Smiles | C[C@@H]1CCCC(C2=C1C=CC(=C2)C)(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients