(2S,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol
PubChem CID: 5479111
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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 | 173.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2S,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C10H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GVGCIKKRNRWACL-NXEZZACHSA-N |
| Fcsp3 | 0.6 |
| Logs | -0.576 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.981 |
| Compound Name | (2S,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-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 | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8507623999999998 |
| Inchi | InChI=1S/C10H18O2/c1-7(2)9(6-11)5-10(12)8(3)4/h9-12H,1,3,5-6H2,2,4H3/t9-,10-/m1/s1 |
| Smiles | CC(=C)[C@H](C[C@H](C(=C)C)O)CO |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients