(2-Pentadecyl-1,3-dioxolan-4-yl)methyl palmitate
PubChem CID: 631084
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| Compound Synonyms | 41563-11-5, (2-Pentadecyl-1,3-dioxolan-4-yl)methyl palmitate, AVXDNDYYTSRSJJ-UHFFFAOYSA-N, DTXSID901016065, Hexadecanoic acid, (2-pentadecyl-1,3-dioxolan-4-yl)methyl ester, (2-Pentadecyl-1,3-dioxolan-4-yl)methyl palmitate #, Hexadecanoic acid(2-pentadecyl-1,3-dioxolan-4-yl)methyl ester |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 39.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 509.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2-pentadecyl-1,3-dioxolan-4-yl)methyl hexadecanoate |
| Prediction Hob | 0.0 |
| Xlogp | 14.9 |
| Molecular Formula | C35H68O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | AVXDNDYYTSRSJJ-UHFFFAOYSA-N |
| Fcsp3 | 0.9714285714285714 |
| Logs | -7.477 |
| Rotatable Bond Count | 31.0 |
| Logd | 5.752 |
| Compound Name | (2-Pentadecyl-1,3-dioxolan-4-yl)methyl palmitate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 552.512 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 552.512 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 552.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -10.609135000000002 |
| Inchi | InChI=1S/C35H68O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)37-31-33-32-38-35(39-33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33,35H,3-32H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCC1OCC(O1)COC(=O)CCCCCCCCCCCCCCC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Andrographis Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Acutiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Angelica Gigas (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Citrus Maxima (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Cynoglossum Zeylanicum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Illicium Verum (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Oldenlandia Diffusa (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Zanthoxylum Bungeanum (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients