1,1-Bis(dodecyloxy)hexadecane
PubChem CID: 41920
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| Compound Synonyms | 1,1-BIS(DODECYLOXY)HEXADECANE, 1,1-didodecoxyhexadecane, 56554-64-4, Hexadecane, 1,1-bis(dodecyloxy)-, 1,1-bis(dodecyloxy)-hexadecane, DTXSID20205111, 1,1-Bis(dodecyloxy)hexadecane #, IQWYYPSAYLKEME-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 425.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1-didodecoxyhexadecane |
| Prediction Hob | 0.0 |
| Xlogp | 19.0 |
| Molecular Formula | C40H82O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IQWYYPSAYLKEME-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -8.342 |
| Rotatable Bond Count | 38.0 |
| Logd | 6.154 |
| Compound Name | 1,1-Bis(dodecyloxy)hexadecane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 594.631 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 594.631 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 595.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -12.997882800000003 |
| Inchi | InChI=1S/C40H82O2/c1-4-7-10-13-16-19-22-23-24-25-28-31-34-37-40(41-38-35-32-29-26-20-17-14-11-8-5-2)42-39-36-33-30-27-21-18-15-12-9-6-3/h40H,4-39H2,1-3H3 |
| Smiles | CCCCCCCCCCCCCCCC(OCCCCCCCCCCCC)OCCCCCCCCCCCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Reticulata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Citrus Unshiu (Plant) Rel Props:Source_db:cmaup_ingredients