Ethyl tricosanoate
PubChem CID: 29010
Connections displayed (default: 10).
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| Compound Synonyms | ETHYL TRICOSANOATE, 18281-07-7, TRICOSANOIC ACID ETHYL ESTER, Tricosanoic acid, ethyl ester, Tricosanoic acid-ethyl ester, MFCD01074717, DTXSID10171336, HMS3650A07, Ethyl Tricosanoate, >=99% (GC), BBL104159, STL557973, AKOS027469848, AS-9579, DB-222259, HY-119491, CS-0068515, NS00096489, SR-01000946757, SR-01000946757-1 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 288.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl tricosanoate |
| Prediction Hob | 0.0 |
| Xlogp | 11.6 |
| Molecular Formula | C25H50O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | URGDXLFVAIKCMI-UHFFFAOYSA-N |
| Fcsp3 | 0.96 |
| Logs | -7.336 |
| Rotatable Bond Count | 23.0 |
| Logd | 4.733 |
| Compound Name | Ethyl tricosanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 382.381 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.381 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 382.7 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.0466726 |
| Inchi | InChI=1S/C25H50O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-4-2/h3-24H2,1-2H3 |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCC(=O)OCC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Epimedium Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Frasera Caroliniensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Sorbus Domestica (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Teucrium Nuchense (Plant) Rel Props:Source_db:cmaup_ingredients