(6,10,10-Trimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl)methanol
PubChem CID: 5321323
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| Topological Polar Surface Area | 29.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 312.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (6,10,10-trimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl)methanol |
| Prediction Hob | 0.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ABYYDYWFVSHNAX-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.863 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.024 |
| Compound Name | (6,10,10-Trimethyl-11-oxatricyclo[7.2.1.01,5]dodecan-2-yl)methanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 238.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 238.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 238.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.9844001999999996 |
| Inchi | InChI=1S/C15H26O2/c1-10-4-5-11-8-15(17-14(11,2)3)12(9-16)6-7-13(10)15/h10-13,16H,4-9H2,1-3H3 |
| Smiles | CC1CCC2CC3(C1CCC3CO)OC2(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients