[(Z)-3-cyano-2-methylprop-2-enyl] tetradecanoate
PubChem CID: 5321837
Connections displayed (default: 10).
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| Topological Polar Surface Area | 50.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 352.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(Z)-3-cyano-2-methylprop-2-enyl] tetradecanoate |
| Prediction Hob | 0.0 |
| Xlogp | 7.0 |
| Molecular Formula | C19H33NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QTTXQEAPXJSHOE-SDXDJHTJSA-N |
| Fcsp3 | 0.7894736842105263 |
| Logs | -6.389 |
| Rotatable Bond Count | 15.0 |
| Logd | 3.987 |
| Compound Name | [(Z)-3-cyano-2-methylprop-2-enyl] tetradecanoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 307.251 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 307.251 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 307.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.1663635999999995 |
| Inchi | InChI=1S/C19H33NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-19(21)22-17-18(2)15-16-20/h15H,3-14,17H2,1-2H3/b18-15- |
| Smiles | CCCCCCCCCCCCCC(=O)OC/C(=C\C#N)/C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Angelica Dahurica (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Angelica Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients