5-Isopropyl-6,6-dimethyl-hept-3-ene-2,5-diol
PubChem CID: 5363341
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 5-isopropyl-6,6-dimethyl-hept-3-ene-2,5-diol, SCHEMBL4485477, CAYHOJPWXZGMRX-BQYQJAHWSA-N, (3E)-5-Isopropyl-6,6-dimethyl-3-heptene-2,5-diol # |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 201.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-6,6-dimethyl-5-propan-2-ylhept-3-ene-2,5-diol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C12H24O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CAYHOJPWXZGMRX-BQYQJAHWSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -2.59 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.676 |
| Compound Name | 5-Isopropyl-6,6-dimethyl-hept-3-ene-2,5-diol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 200.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 200.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 200.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.3803963999999995 |
| Inchi | InChI=1S/C12H24O2/c1-9(2)12(14,11(4,5)6)8-7-10(3)13/h7-10,13-14H,1-6H3/b8-7+ |
| Smiles | CC(C)C(/C=C/C(C)O)(C(C)(C)C)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhodiola Crenulata (Plant) Rel Props:Source_db:cmaup_ingredients