6-Propyltridecane
PubChem CID: 521567
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| Compound Synonyms | 6-Propyltridecane, Tridecane, 6-propyl-, 55045-10-8, 6-Propyltridecane #, HMKBVDFFYNUAKM-UHFFFAOYSA-N, DTXSID201316416, DB-327542 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Description | Constituent of the esential oil of the peel of Juglans nigra (black walnut). 6-Propyltridecane is found in black walnut and nuts. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 117.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-propyltridecane |
| Prediction Hob | 1.0 |
| Class | Saturated hydrocarbons |
| Xlogp | 8.6 |
| Superclass | Hydrocarbons |
| Subclass | Alkanes |
| Molecular Formula | C16H34 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HMKBVDFFYNUAKM-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 12.0 |
| Compound Name | 6-Propyltridecane |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.266 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.266 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 226.44 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -5.863677599999999 |
| Inchi | InChI=1S/C16H34/c1-4-7-9-10-12-15-16(13-6-3)14-11-8-5-2/h16H,4-15H2,1-3H3 |
| Smiles | CCCCCCCC(CCC)CCCCC |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Branched alkanes |
- 1. Outgoing r'ship
FOUND_INto/from Juglans Nigra (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all