9-Octadecenoic acid (9Z)-, dodecyl ester
PubChem CID: 100624
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| Compound Synonyms | 9-Octadecenoic acid (9Z)-, dodecyl ester, DTXSID7067956, DTXCID6039136 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 388.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dodecyl octadec-9-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 13.2 |
| Molecular Formula | C30H58O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OXPCWUWUWIWSGI-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Logs | -7.643 |
| Rotatable Bond Count | 27.0 |
| Logd | 5.192 |
| Compound Name | 9-Octadecenoic acid (9Z)-, dodecyl ester |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 450.444 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 450.444 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 450.8 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -9.143710400000003 |
| Inchi | InChI=1S/C30H58O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-30(31)32-29-27-25-23-21-14-12-10-8-6-4-2/h16-17H,3-15,18-29H2,1-2H3 |
| Smiles | CCCCCCCCCCCCOC(=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