Ether, dodecyl isopropyl
PubChem CID: 537042
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| Compound Synonyms | Ether, dodecyl isopropyl, 1-propan-2-yloxydodecane, lauryl isopropyl ether, 1-Isopropoxydodecane #, 29379-42-8, SCHEMBL4505356, JYJHLFUHTHWNSJ-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 9.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 121.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-propan-2-yloxydodecane |
| Prediction Hob | 1.0 |
| Xlogp | 6.5 |
| Molecular Formula | C15H32O |
| Prediction Swissadme | 0.0 |
| Inchi Key | JYJHLFUHTHWNSJ-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -6.093 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.346 |
| Compound Name | Ether, dodecyl isopropyl |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.245 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.245 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 228.41 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.5340039999999995 |
| Inchi | InChI=1S/C15H32O/c1-4-5-6-7-8-9-10-11-12-13-14-16-15(2)3/h15H,4-14H2,1-3H3 |
| Smiles | CCCCCCCCCCCCOC(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients