6-[(2S,3S)-3-methyloxiran-2-yl]hexa-3,5-diyn-1-ol
PubChem CID: 162990334
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 32.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 254.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 6-[(2S,3S)-3-methyloxiran-2-yl]hexa-3,5-diyn-1-ol |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C9H10O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | KWILSPRXWBUXIR-IUCAKERBSA-N |
| Fcsp3 | 0.5555555555555556 |
| Logs | -1.916 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.784 |
| Compound Name | 6-[(2S,3S)-3-methyloxiran-2-yl]hexa-3,5-diyn-1-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 150.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 150.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.0515974 |
| Inchi | InChI=1S/C9H10O2/c1-8-9(11-8)6-4-2-3-5-7-10/h8-10H,5,7H2,1H3/t8-,9-/m0/s1 |
| Smiles | C[C@H]1[C@@H](O1)C#CC#CCCO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Caesalpinia Minax (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Camptotheca Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients