Undecyl octadec-9-enoate
PubChem CID: 289801
Connections displayed (default: 10).
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 375.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | undecyl octadec-9-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 12.6 |
| Molecular Formula | C29H56O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XUXHXFXVUACXPI-UHFFFAOYSA-N |
| Fcsp3 | 0.896551724137931 |
| Logs | -7.571 |
| Rotatable Bond Count | 26.0 |
| Logd | 5.147 |
| Compound Name | Undecyl octadec-9-enoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 436.428 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.428 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 436.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -8.782543 |
| Inchi | InChI=1S/C29H56O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29(30)31-28-26-24-22-20-12-10-8-6-4-2/h15-16H,3-14,17-28H2,1-2H3 |
| Smiles | CCCCCCCCCCCOC(=O)CCCCCCCC=CCCCCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Pruinosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aegilops Geniculata (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cycas Beddomei (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Iodes Cirrhosa (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Lespedeza Davidii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Syzygium Samarangense (Plant) Rel Props:Source_db:cmaup_ingredients