(1R,2E,6Z,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde
PubChem CID: 101093875
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| Topological Polar Surface Area | 37.3 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 367.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1R,2E,6Z,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.2 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HLMCIXCJYXTZPQ-QAURWTMSSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.582 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.361 |
| Compound Name | (1R,2E,6Z,10S,11S)-10-hydroxy-7,11-dimethylbicyclo[9.1.0]dodeca-2,6-diene-3-carbaldehyde |
| Prediction Hob Swissadme | 1.0 |
| 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 | 3.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -2.5940018 |
| Inchi | InChI=1S/C15H22O2/c1-11-4-3-5-12(10-16)8-13-9-15(13,2)14(17)7-6-11/h4,8,10,13-14,17H,3,5-7,9H2,1-2H3/b11-4-,12-8+/t13-,14-,15-/m0/s1 |
| Smiles | C/C/1=C/CC/C(=C\[C@H]2C[C@@]2([C@H](CC1)O)C)/C=O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aristolochia Mollissima (Plant) Rel Props:Source_db:cmaup_ingredients