Trans-4-NONENE
PubChem CID: 5364454
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| Compound Synonyms | Trans-4-NONENE, 4-Nonene, (4E)-, 10405-85-3, (E)-4-Nonene, (E)-non-4-ene, 4-Nonene, trans-, 4-Nonene, (E)-, delta-trans-Nonene, UNII-U5OC0PYC75, U5OC0PYC75, (4E)-4-Nonene, MFCD00009507, 4-Nonene (cis+trans), .DELTA.-TRANS-NONENE, DTXSID60873999, AKOS015910305, NS00090836, D91695, Q27290716 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 62.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-non-4-ene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Is Pains | False |
| Molecular Formula | C9H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KPADFPAILITQBG-VQHVLOKHSA-N |
| Fcsp3 | 0.7777777777777778 |
| Rotatable Bond Count | 5.0 |
| Compound Name | Trans-4-NONENE |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 126.141 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 126.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 126.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.9135066 |
| Inchi | InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h7,9H,3-6,8H2,1-2H3/b9-7+ |
| Smiles | CCCC/C=C/CCC |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hansenia Weberbaueriana (Plant) Rel Props:Source_db:cmaup_ingredients