(1S,5R,6S)-2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-ol
PubChem CID: 71361104
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | cis-chrysantheol, 33644-17-6, DTXSID00784858, IRZWAJHUWGZMMT-YIZRAAEISA-N, (1S,5R,6S)-2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-ol |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 215.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,5R,6S)-2,7,7-trimethylbicyclo[3.1.1]hept-2-en-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IRZWAJHUWGZMMT-YIZRAAEISA-N |
| Fcsp3 | 0.8 |
| Logs | -2.312 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.249 |
| Compound Name | (1S,5R,6S)-2,7,7-Trimethylbicyclo[3.1.1]hept-2-en-6-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8485694 |
| Inchi | InChI=1S/C10H16O/c1-6-4-5-7-9(11)8(6)10(7,2)3/h4,7-9,11H,5H2,1-3H3/t7-,8+,9-/m0/s1 |
| Smiles | CC1=CC[C@H]2[C@@H]([C@@H]1C2(C)C)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all