2-methylpropan(17O)al
PubChem CID: 11686898
Connections displayed (default: 10).
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 30.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylpropan(17O)al |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 0.8 |
| Is Pains | False |
| Molecular Formula | C4H8O |
| Prediction Swissadme | 0.0 |
| Inchi Key | AMIMRNSIRUDHCM-HOSYLAQJSA-N |
| Fcsp3 | 0.75 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 2-methylpropan(17O)al |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 73.0617 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 73.0617 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 73.11 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.7123642165399999 |
| Inchi | InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3/i5+1 |
| Smiles | CC(C)C=[17O] |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Arctium Lappa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gossypium Herbaceum (Plant) Rel Props:Source_db:cmaup_ingredients