4-Methyl-1-propan-2-ylcyclohex-4-ene-1,3-diol
PubChem CID: 68296628
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| Compound Synonyms | SCHEMBL12501371 |
|---|---|
| Prediction Swissadme | 1.0 |
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | MQTSOTIFLOKJLU-UHFFFAOYSA-N |
| Fcsp3 | 0.8 |
| Rotatable Bond Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Compound Name | 4-Methyl-1-propan-2-ylcyclohex-4-ene-1,3-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 | 196.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyl-1-propan-2-ylcyclohex-4-ene-1,3-diol |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 1.0 |
| Esol | -1.5036623999999998 |
| Inchi | InChI=1S/C10H18O2/c1-7(2)10(12)5-4-8(3)9(11)6-10/h4,7,9,11-12H,5-6H2,1-3H3 |
| Smiles | CC1=CCC(CC1O)(C(C)C)O |
| Xlogp | 1.1 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H18O2 |
- 1. Outgoing r'ship
FOUND_INto/from Boswellia Carterii (Plant) Rel Props:Source_db:cmaup_ingredients