4-Methylundecane
PubChem CID: 520454
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4-Methylundecane, Undecane, 4-methyl-, 2980-69-0, CHEBI:84250, DTXSID00334357, UNDECANE,4-METHYL-, DTXCID30965077, Q27157618 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 76.1 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methylundecane |
| Prediction Hob | 1.0 |
| Xlogp | 6.4 |
| Molecular Formula | C12H26 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KNMXZGDUJVOTOC-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.345 |
| Rotatable Bond Count | 8.0 |
| Logd | 5.06 |
| Compound Name | 4-Methylundecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 170.203 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.203 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 170.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.419008 |
| Inchi | InChI=1S/C12H26/c1-4-6-7-8-9-11-12(3)10-5-2/h12H,4-11H2,1-3H3 |
| Smiles | CCCCCCCC(C)CCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycium Barbarum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lycium Chinense (Plant) Rel Props:Source_db:cmaup_ingredients