Trideuteriomethyl 2,2,3,3,13,13-hexadeuteriotetradecanoate
PubChem CID: 11779960
Connections displayed (default: 10).
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| Topological Polar Surface Area | 26.3 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 9.0 |
| Molecular Complexity | 166.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | trideuteriomethyl 2,2,3,3,13,13-hexadeuteriotetradecanoate |
| Prediction Hob | 0.0 |
| Xlogp | 6.8 |
| Molecular Formula | C15H30O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZAZKJZBWRNNLDS-YHZOWISHSA-N |
| Fcsp3 | 0.9333333333333332 |
| Logs | -6.012 |
| Rotatable Bond Count | 13.0 |
| Logd | 2.758 |
| Compound Name | Trideuteriomethyl 2,2,3,3,13,13-hexadeuteriotetradecanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 251.281 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 251.281 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 251.45 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.5133390792123995 |
| Inchi | InChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3/i2D3,3D2,13D2,14D2 |
| Smiles | [2H]C([2H])([2H])OC(=O)C([2H])([2H])C([2H])([2H])CCCCCCCCCC([2H])([2H])C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Codonopsis Pilosula (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Combretum Indicum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Trichosanthes Kirilowii (Plant) Rel Props:Source_db:cmaup_ingredients