10-Cyclopentyldecanoic acid
PubChem CID: 54512352
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| Compound Synonyms | 10-cyclopentyldecanoic acid, 11-Cyclopentylundecanoic acid, 10592-45-7, SCHEMBL14890569, CHEBI:87377, DTXSID80711869, Q27159570 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 195.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-cyclopentyldecanoic acid |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 6.1 |
| Is Pains | False |
| Molecular Formula | C15H28O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XMKHJDJISUCUGF-UHFFFAOYSA-N |
| Fcsp3 | 0.9333333333333332 |
| Rotatable Bond Count | 10.0 |
| Compound Name | 10-Cyclopentyldecanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 240.209 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 240.209 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 240.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.4944994 |
| Inchi | InChI=1S/C15H28O2/c16-15(17)13-7-5-3-1-2-4-6-10-14-11-8-9-12-14/h14H,1-13H2,(H,16,17) |
| Smiles | C1CCC(C1)CCCCCCCCCC(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients