3-Nonene, (3E)-
PubChem CID: 5364445
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| Compound Synonyms | trans-3-Nonene, (E)-Non-3-ene, 20063-92-7, 3-Nonene, (E)-, 3-Nonene, (3E)-, (3E)-3-Nonene, EINECS 243-495-0, 697F6717WI, .GAMMA.-TRANS-NONENE, DTXSID70879624, NSC 97534, NSC-97534, (E)-3-Nonene, 20063-77-8, UNII-697F6717WI, 1-Heptene, ethyl-, GAMMA-TRANS-NONENE, DTXCID20911063, MFCD00009533, (E)-3-C9H18, NS00048216, Q27264323 |
|---|---|
| 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-3-ene |
| Prediction Hob | 1.0 |
| Xlogp | 4.2 |
| Molecular Formula | C9H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YCBSHDKATAPNIA-FNORWQNLSA-N |
| Fcsp3 | 0.7777777777777778 |
| Logs | -4.79 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.404 |
| Compound Name | 3-Nonene, (3E)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 126.141 |
| Formal Charge | 0.0 |
| 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 | -3.4049066 |
| Inchi | InChI=1S/C9H18/c1-3-5-7-9-8-6-4-2/h5,7H,3-4,6,8-9H2,1-2H3/b7-5+ |
| Smiles | CCCCC/C=C/CC |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oplopanax Elatus (Plant) Rel Props:Source_db:cmaup_ingredients