(3R)-3-methyl-5-(2,3,6-trimethylphenyl)pent-1-en-3-ol
PubChem CID: 163026339
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| Topological Polar Surface Area | 20.2 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 236.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3-methyl-5-(2,3,6-trimethylphenyl)pent-1-en-3-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C15H22O |
| Prediction Swissadme | 1.0 |
| Inchi Key | IMIDCLIXDOAPMK-HNNXBMFYSA-N |
| Fcsp3 | 0.4666666666666667 |
| Logs | -4.858 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.434 |
| Compound Name | (3R)-3-methyl-5-(2,3,6-trimethylphenyl)pent-1-en-3-ol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 218.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 218.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 218.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6138079999999997 |
| Inchi | InChI=1S/C15H22O/c1-6-15(5,16)10-9-14-12(3)8-7-11(2)13(14)4/h6-8,16H,1,9-10H2,2-5H3/t15-/m0/s1 |
| Smiles | CC1=C(C(=C(C=C1)C)CC[C@](C)(C=C)O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Inula Nervosa (Plant) Rel Props:Source_db:cmaup_ingredients