Undecyl formate
PubChem CID: 229382
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | undecyl formate, 5454-24-0, 1-Undecanol, formate, 1-undecyl formate, NSC23053, formic acid undecyl ester, Formic acid, undecyl ester, SCHEMBL157307, DTXSID30281789, OASFNORBKVGDRW-UHFFFAOYSA-N, NSC-23053, G71202 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 113.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | undecyl formate |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C12H24O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OASFNORBKVGDRW-UHFFFAOYSA-N |
| Fcsp3 | 0.9166666666666666 |
| Logs | -4.708 |
| Rotatable Bond Count | 11.0 |
| Logd | 3.22 |
| Compound Name | Undecyl formate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 200.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 200.178 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 200.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.6130964 |
| Inchi | InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-14-12-13/h12H,2-11H2,1H3 |
| Smiles | CCCCCCCCCCCOC=O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Japonicum (Plant) Rel Props:Source_db:cmaup_ingredients