(3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol
PubChem CID: 11240729
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 40.5 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 171.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-2-methyl-6-methylideneoct-7-ene-2,3-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C10H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RAMZBSSISHLRAN-SECBINFHSA-N |
| Fcsp3 | 0.6 |
| Logs | -1.047 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.711 |
| Compound Name | (3R)-2-methyl-6-methylideneoct-7-ene-2,3-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 | 0.0 |
| Esol | -1.8507624000000003 |
| Inchi | InChI=1S/C10H18O2/c1-5-8(2)6-7-9(11)10(3,4)12/h5,9,11-12H,1-2,6-7H2,3-4H3/t9-/m1/s1 |
| Smiles | CC(C)([C@@H](CCC(=C)C=C)O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Catha Edulis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Ipomoea Obscura (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Tamarix Ramosissima (Plant) Rel Props:Source_db:cmaup_ingredients