4-Nonyne
PubChem CID: 140650
Connections displayed (default: 10).
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| Compound Synonyms | 4-Nonyne, 20184-91-2, non-4-yne, 4-C9H16, DTXSID20174015, Butylpropylacetylene, MFCD00041650, DTXCID6096506, AKOS015842884, N0378, 678-274-1 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 99.7 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | non-4-yne |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Is Pains | False |
| Molecular Formula | C9H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RAYTXPDVKZFUEI-UHFFFAOYSA-N |
| Fcsp3 | 0.7777777777777778 |
| Rotatable Bond Count | 3.0 |
| Compound Name | 4-Nonyne |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 124.125 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 124.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 124.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8755074 |
| Inchi | InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3-7H2,1-2H3 |
| Smiles | CCCCC#CCCC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dendrobium Chrysanthum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dendrobium Fimbriatum (Plant) Rel Props:Source_db:cmaup_ingredients