(3S,6S)-2,6-dimethyloct-7-ene-2,3,6-triol
PubChem CID: 10932197
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| Topological Polar Surface Area | 60.7 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 177.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3S,6S)-2,6-dimethyloct-7-ene-2,3,6-triol |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C10H20O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CNYFGLAROLNGDG-WCBMZHEXSA-N |
| Fcsp3 | 0.8 |
| Logs | -0.414 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.823 |
| Compound Name | (3S,6S)-2,6-dimethyloct-7-ene-2,3,6-triol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 188.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 188.141 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 188.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.9544553999999998 |
| Inchi | InChI=1S/C10H20O3/c1-5-10(4,13)7-6-8(11)9(2,3)12/h5,8,11-13H,1,6-7H2,2-4H3/t8-,10+/m0/s1 |
| Smiles | C[C@](CC[C@@H](C(C)(C)O)O)(C=C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Coriandrum Sativum (Plant) Rel Props:Source_db:cmaup_ingredients