(+)-beta-Himachalene oxide
PubChem CID: 78409657
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| Compound Synonyms | (+)-.beta.-Himachalene oxide, FDCRKPAGAMPEAD-UHFFFAOYSA-N, 7-Oxatricyclo[6.4.0.0.(6,8)]11-dodecene, 2,2,6,11-tetramethyl, [1R,6S,8R]-, (1aS,5aR,9aR)-1a,5,5,7-Tetramethyl-1a,2,3,4,5,5a,8,9-octahydrobenzo[1,7]cyclohepta[1,2-b]oxirene, Benzo[1,7]cyclohept[1,2-b]oxirene, 1a,2,3,4,5,5a,8,9-octahydro-1a,5,5,7-tetramethyl-, (1aS,5aR,9aR)-, Benzo[1,7]cyclohept[1,2-b]oxirene, 1a,2,3,4,5,5a,8,9-octahydro-1a,5,5,7-tetramethyl-, [1aS-(1a.alpha.,5a.alpha.,9aS*)]- |
|---|---|
| Topological Polar Surface Area | 12.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 354.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,7,7,10-tetramethyl-2-oxatricyclo[6.4.0.01,3]dodec-9-ene |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FDCRKPAGAMPEAD-UHFFFAOYSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -5.035 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.061 |
| Compound Name | (+)-beta-Himachalene oxide |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3608072 |
| Inchi | InChI=1S/C15H24O/c1-11-6-9-15-12(10-11)13(2,3)7-5-8-14(15,4)16-15/h10,12H,5-9H2,1-4H3 |
| Smiles | CC1=CC2C(CCCC3(C2(O3)CC1)C)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:cmaup_ingredients