(3R,4R)-4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol
PubChem CID: 162979485
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| Prediction Swissadme | 1.0 |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | LIAJPRXDHOZJHW-RKDXNWHRSA-N |
| Fcsp3 | 0.6 |
| Rotatable Bond Count | 4.0 |
| Heavy Atom Count | 12.0 |
| Compound Name | (3R,4R)-4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 182.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (3R,4R)-4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -1.8096624 |
| Inchi | InChI=1S/C10H18O2/c1-6-8(7(2)3)9(11)10(4,5)12/h6,8-9,11-12H,1-2H2,3-5H3/t8-,9-/m1/s1 |
| Smiles | CC(=C)[C@@H](C=C)[C@H](C(C)(C)O)O |
| Xlogp | 1.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H18O2 |
- 1. Outgoing r'ship
FOUND_INto/from Hopea Parviflora (Plant) Rel Props:Source_db:cmaup_ingredients