Methyl 11-octadecynoate
PubChem CID: 534851
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| Compound Synonyms | Methyl 11-octadecynoate, 11-Octadecynoic acid, methyl ester, 26543-37-3, DTXSID60336594, DTXCID10287683 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 295.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | methyl octadec-11-ynoate |
| Prediction Hob | 1.0 |
| Xlogp | 7.3 |
| Molecular Formula | C19H34O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YWSZCHUCDKFPMV-UHFFFAOYSA-N |
| Fcsp3 | 0.8421052631578947 |
| Logs | -6.43 |
| Rotatable Bond Count | 14.0 |
| Logd | 4.278 |
| Compound Name | Methyl 11-octadecynoate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 294.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 294.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 294.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.4541698 |
| Inchi | InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-7,10-18H2,1-2H3 |
| Smiles | CCCCCCC#CCCCCCCCCCC(=O)OC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients