1,5-Octadiene, 3-ethyl-
PubChem CID: 530397
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| Compound Synonyms | 1,5-Octadiene, 3-ethyl-, 103394-06-5, DTXSID60336251, DTXCID10287340, Q27159493 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 101.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethylocta-1,5-diene |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Is Pains | False |
| Molecular Formula | C10H18 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DXYBMKOHVHUXNV-UHFFFAOYSA-N |
| Fcsp3 | 0.6 |
| Rotatable Bond Count | 5.0 |
| Compound Name | 1,5-Octadiene, 3-ethyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.141 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 138.141 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 138.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.8682748 |
| Inchi | InChI=1S/C10H18/c1-4-7-8-9-10(5-2)6-3/h5,7-8,10H,2,4,6,9H2,1,3H3 |
| Smiles | CCC=CCC(CC)C=C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Vitis Vinifera (Plant) Rel Props:Source_db:cmaup_ingredients