(1R,4S,7R,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecan-8-ol
PubChem CID: 101691093
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 321.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (1R,4S,7R,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecan-8-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C15H26O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SGFQNQLVVVMSEE-RKEKIRQTSA-N |
| Fcsp3 | 1.0 |
| Logs | -5.264 |
| Rotatable Bond Count | 0.0 |
| Logd | 4.255 |
| Compound Name | (1R,4S,7R,8R,11S)-2,2,4,8-tetramethyltricyclo[5.3.1.04,11]undecan-8-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 222.37 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6631063999999993 |
| Inchi | InChI=1S/C15H26O/c1-13(2)9-14(3)7-5-11-12(14)10(13)6-8-15(11,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11-,12+,14+,15-/m1/s1 |
| Smiles | C[C@@]12CC[C@@H]3[C@@H]1[C@@H](CC[C@@]3(C)O)C(C2)(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mammea Africana (Plant) Rel Props:Source_db:cmaup_ingredients