1,3-Pentadiene
PubChem CID: 62204
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| Compound Synonyms | 1,3-PENTADIENE, trans-1,3-Pentadiene, trans-Piperylene, 2004-70-8, (3E)-penta-1,3-diene, 1,3-Pentadiene, (3E)-, (E)-1,3-Pentadiene, 504-60-9, Piperylene, 1-Methylbutadiene, trans-1-Methylbutadiene, trans-Penta-1,3-diene, (3E)-1,3-Pentadiene, RCRA waste number U186, 1,3-PENTADIENE, (E)-, Pentadiene, 00OA1GPF8R, (E)-CH2=CHCH=CHCH3, NSC-73901, trans-1,3-Pentadiene (stabilized with TBC), (E)-penta-1,3-diene, CCRIS 8964, CH2=CHCH=CHCH3, Pentadiene, 1,3-, HSDB 6063, HSDB 6139, EINECS 207-995-2, EINECS 217-909-5, NSC 73901, RCRA waste no. U186, UNII-00OA1GPF8R, BRN 1523657, BRN 1523659, UNII-FW963NF88B, 41050-31-1, (e)-piperylene, E-1,3-pentadiene, E-1, 3-pentadiene, 1,trans-3-Pentadiene, PIPERYLENE, TRANS-, EC 207-995-2, 4-01-00-00994 (Beilstein Handbook Reference), 4-01-00-00995 (Beilstein Handbook Reference), 1,3-TRANS-PENTADIENE, FW963NF88B, trans-1,3-Pentadiene, 90%, CHEBI:74165, DTXSID50858710, NSC73901, AKOS015913480, TRANS-1-METHYL-1,3-BUTADIENE, FP138597, 1,3-PENTADIENE (3E)-FORM [MI], trans-1,3-Pentadiene, analytical standard, NS00002139, P0647, P1841, D91991, Q126292 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 5.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 42.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E)-penta-1,3-diene |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C5H8 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PMJHHCWVYXUKFD-SNAWJCMRSA-N |
| Fcsp3 | 0.2 |
| Logs | -0.782 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.812 |
| Compound Name | 1,3-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 | 1.0 |
| Esol | -1.7083378 |
| Inchi | InChI=1S/C5H8/c1-3-5-4-2/h3-5H,1H2,2H3/b5-4+ |
| Smiles | C/C=C/C=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all