8-Hexyl-8-pentylhexadecane
PubChem CID: 521602
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 8-Hexyl-8-pentylhexadecane, Hexadecane, 8-hexyl-8-pentyl-, 55282-29-6, 8-hexyl-8-pentyl-hexadecane, 8-Hexyl-8-pentylhexadecane #, DTXSID00334695, RZBHZICXTQDTLO-UHFFFAOYSA-N, DB-264185 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 269.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hexyl-8-pentylhexadecane |
| Prediction Hob | 0.0 |
| Xlogp | 14.4 |
| Molecular Formula | C27H56 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RZBHZICXTQDTLO-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -7.823 |
| Rotatable Bond Count | 22.0 |
| Logd | 6.574 |
| Compound Name | 8-Hexyl-8-pentylhexadecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 380.438 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 380.438 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 380.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -9.820619000000002 |
| Inchi | InChI=1S/C27H56/c1-5-9-13-16-18-22-26-27(23-19-12-8-4,24-20-15-11-7-3)25-21-17-14-10-6-2/h5-26H2,1-4H3 |
| Smiles | CCCCCCCCC(CCCCC)(CCCCCC)CCCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cnidium Monieri (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Torilis Japonica (Plant) Rel Props:Source_db:cmaup_ingredients