6-Methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodecan-2-one
PubChem CID: 5317842
Connections displayed (default: 10).
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 360.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodecan-2-one |
| Prediction Hob | 0.0 |
| Xlogp | 4.1 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RDYUBCVSUYWYDA-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Logs | -3.557 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.828 |
| Compound Name | 6-Methyl-9-prop-1-en-2-yl-3-oxatricyclo[5.4.1.04,12]dodecan-2-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8099017999999996 |
| Inchi | InChI=1S/C15H22O2/c1-8(2)10-4-5-11-14-12(7-10)9(3)6-13(14)17-15(11)16/h9-14H,1,4-7H2,2-3H3 |
| Smiles | CC1CC2C3C1CC(CCC3C(=O)O2)C(=C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Agallochum (Plant) Rel Props:Source_db:cmaup_ingredients