(E,2S)-5-methyl-2-prop-1-en-2-ylhex-3-ene-1,5-diol
PubChem CID: 162928838
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| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 180.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (E,2S)-5-methyl-2-prop-1-en-2-ylhex-3-ene-1,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C10H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LERJQWBUGFVPPU-VUHVRTRXSA-N |
| Fcsp3 | 0.6 |
| Logs | -0.888 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.29 |
| Compound Name | (E,2S)-5-methyl-2-prop-1-en-2-ylhex-3-ene-1,5-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -1.5450623999999997 |
| Inchi | InChI=1S/C10H18O2/c1-8(2)9(7-11)5-6-10(3,4)12/h5-6,9,11-12H,1,7H2,2-4H3/b6-5+/t9-/m1/s1 |
| Smiles | CC(=C)[C@@H](CO)/C=C/C(C)(C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients