7-Methylpentacontan-4-one
PubChem CID: 5319794
Connections displayed (default: 10).
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 52.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 639.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methylpentacontan-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 25.1 |
| Molecular Formula | C51H102O |
| Prediction Swissadme | 0.0 |
| Inchi Key | SUSYZTSDLDVSMD-UHFFFAOYSA-N |
| Fcsp3 | 0.9803921568627452 |
| Logs | -2.606 |
| Rotatable Bond Count | 47.0 |
| Logd | 1.822 |
| Compound Name | 7-Methylpentacontan-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 730.793 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 730.793 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 731.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -17.1107312 |
| Inchi | InChI=1S/C51H102O/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41-42-43-44-45-47-50(3)48-49-51(52)46-5-2/h50H,4-49H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(C)CCC(=O)CCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Davidiana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Prunus Persica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Typha Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients