[(4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol
PubChem CID: 5319366
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 138.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 1.0 |
| Inchi Key | JWRJGMUBDGIGRT-QVDQXJPCSA-N |
| Fcsp3 | 0.8 |
| Logs | -2.064 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.48 |
| Compound Name | [(4R)-4-propan-2-ylcyclohex-2-en-1-yl]methanol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2456685999999997 |
| Inchi | InChI=1S/C10H18O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,5,8-11H,4,6-7H2,1-2H3/t9?,10-/m1/s1 |
| Smiles | CC(C)[C@H]1CCC(C=C1)CO |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients