1,4-Pentadiene
PubChem CID: 11587
Connections displayed (default: 10).
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| Compound Synonyms | 1,4-PENTADIENE, Penta-1,4-diene, 591-93-5, Pentadiene-1,4, UNII-A5IF861OQ5, A5IF861OQ5, EINECS 209-736-9, NSC 73902, NSC-73902, CH2=CHCH2CH=CH2, DTXSID8060456, allylethylene, MFCD00008665, divinylmethane, NSC73902, penta-1,4-dien-3-yl, 1,4-Pentadiene, 99%, DTXCID4042549, DTXSID90931970, AKOS025295503, NS00034106, P0038, D91889, A832205, Q161535 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 29.3 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | penta-1,4-diene |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C5H8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QYZLKGVUSQXAMU-UHFFFAOYSA-N |
| Fcsp3 | 0.2 |
| Logs | -6.854 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.401 |
| Compound Name | 1,4-Pentadiene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 68.0626 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 68.0626 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 68.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6927378000000002 |
| Inchi | InChI=1S/C5H8/c1-3-5-4-2/h3-4H,1-2,5H2 |
| Smiles | C=CCC=C |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Elsholtzia Ciliata (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mosla Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients