(1R,2S,5R,7R,8S)-2,8-dimethyl-5-prop-1-en-2-yl-11-oxatricyclo[5.3.1.01,7]undecan-8-ol
PubChem CID: 145972074
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4215195 |
|---|---|
| Topological Polar Surface Area | 32.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 377.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,2S,5R,7R,8S)-2,8-dimethyl-5-prop-1-en-2-yl-11-oxatricyclo[5.3.1.01,7]undecan-8-ol |
| Prediction Hob | 0.0 |
| Xlogp | 3.0 |
| Molecular Formula | C15H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LBPYAJYJFQGBOQ-XPABHHOTSA-N |
| Fcsp3 | 0.8666666666666667 |
| Logs | -3.684 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.77 |
| Compound Name | (1R,2S,5R,7R,8S)-2,8-dimethyl-5-prop-1-en-2-yl-11-oxatricyclo[5.3.1.01,7]undecan-8-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 236.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1420009999999996 |
| Inchi | InChI=1S/C15H24O2/c1-10(2)12-6-5-11(3)14-8-7-13(4,16)15(14,9-12)17-14/h11-12,16H,1,5-9H2,2-4H3/t11-,12+,13-,14+,15+/m0/s1 |
| Smiles | C[C@H]1CC[C@H](C[C@@]23[C@@]1(O2)CC[C@]3(C)O)C(=C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients