(5-methyl-2-propan-2-ylphenyl) (2R)-2-methylbutanoate
PubChem CID: 92284339
Connections displayed (default: 10).
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 247.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (5-methyl-2-propan-2-ylphenyl) (2R)-2-methylbutanoate |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C15H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NBUBCJBQVQEAAC-GFCCVEGCSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -4.913 |
| Rotatable Bond Count | 5.0 |
| Logd | 0.64 |
| Compound Name | (5-methyl-2-propan-2-ylphenyl) (2R)-2-methylbutanoate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 234.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 234.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.096878270588234 |
| Inchi | InChI=1S/C15H22O2/c1-6-12(5)15(16)17-14-9-11(4)7-8-13(14)10(2)3/h7-10,12H,6H2,1-5H3/t12-/m1/s1 |
| Smiles | CC[C@@H](C)C(=O)OC1=C(C=CC(=C1)C)C(C)C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Sphenanthera (Plant) Rel Props:Source_db:cmaup_ingredients