(all-E)-1,7,9-Heptadecatriene-11,13,15-triyne
PubChem CID: 14409592
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| Compound Synonyms | (all-E)-1,7,9-Heptadecatriene-11,13,15-triyne, (7E,9E)-heptadeca-1,7,9-trien-11,13,15-triyne, (7E,9E)-1,7,9-Heptadecatriene-11,13,15-triyne, CHEBI:230139, DTXSID601253664, 41688-30-6 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Description | (all-e)-1,7,9-heptadecatriene-11,13,15-triyne is a member of the class of compounds known as enynes. Enynes are hydrocarbons containing an alkene and an alkyne group. Within the cell, (all-e)-1,7,9-heptadecatriene-11,13,15-triyne is primarily located in the membrane (predicted from logP). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (7E,9E)-heptadeca-1,7,9-trien-11,13,15-triyne |
| Prediction Hob | 1.0 |
| Class | Unsaturated hydrocarbons |
| Xlogp | 5.6 |
| Superclass | Hydrocarbons |
| Subclass | Enynes |
| Molecular Formula | C17H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LEQCZKIMKYGCIQ-TZSXFDEBSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -5.776 |
| Rotatable Bond Count | 8.0 |
| State | Liquid |
| Logd | 3.827 |
| Synonyms | 1,7,9-Heptadecatriene-11,13,15-triyne, 9CI, Centaur X3 |
| Compound Name | (all-E)-1,7,9-Heptadecatriene-11,13,15-triyne |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 222.141 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 222.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 222.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -4.3378521999999995 |
| Inchi | InChI=1S/C17H18/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,13,15-17H,1,5,7,9,11H2,2H3/b15-13+,17-16+ |
| Smiles | CC#CC#CC#C/C=C/C=C/CCCCC=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
| Taxonomy Direct Parent | Enynes |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all