(1R,3E,7E,11R)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene
PubChem CID: 15647025
Connections displayed (default: 10).
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| Topological Polar Surface Area | 12.5 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 322.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1R,3E,7E,11R)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | WSIKWSKUPSHZMF-DWTDZOANSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -3.107 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.525 |
| Compound Name | (1R,3E,7E,11R)-3,7,10,10-tetramethyl-12-oxabicyclo[9.1.0]dodeca-3,7-diene |
| 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 | 2.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -3.4364071999999997 |
| Inchi | InChI=1S/C15H24O/c1-11-6-5-7-12(2)10-13-14(16-13)15(3,4)9-8-11/h7-8,13-14H,5-6,9-10H2,1-4H3/b11-8+,12-7+/t13-,14+/m1/s1 |
| Smiles | C/C/1=C\CC([C@@H]2[C@H](O2)C/C(=C/CC1)/C)(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Pulcherrima (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Sinocrassula Indica (Plant) Rel Props:Source_db:cmaup_ingredients