6-Tetradecene-8,10,12-triyn-3-one
PubChem CID: 5321840
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| Compound Synonyms | 2739-59-5, 6-Tetradecene-8,10,12-triyn-3-one, NSC302546, BOHLMANN K4225, NSC 302546, NSC-302546 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 425.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-tetradec-6-en-8,10,12-triyn-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C14H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | FPCUXOLBEQHUKP-KHPPLWFESA-N |
| Fcsp3 | 0.3571428571428571 |
| Logs | -3.476 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.525 |
| Compound Name | 6-Tetradecene-8,10,12-triyn-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 198.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 198.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.6133429999999995 |
| Inchi | InChI=1S/C14H14O/c1-3-5-6-7-8-9-10-11-12-13-14(15)4-2/h10-11H,4,12-13H2,1-2H3/b11-10- |
| Smiles | CCC(=O)CC/C=C\C#CC#CC#CC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients