1,11-Dodecadiene
PubChem CID: 22170
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| Compound Synonyms | 1,11-DODECADIENE, 5876-87-9, dodeca-1,11-diene, Dodecadiene, 1,11-, MFCD00048156, DTXSID60207492, DTXCID60129983, AKOS006229978, BS-22654, SY055028, DB-053262, D0283, D89622 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 88.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dodeca-1,11-diene |
| Prediction Hob | 1.0 |
| Xlogp | 6.3 |
| Molecular Formula | C12H22 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IYPLTVKTLDQUGG-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -5.745 |
| Rotatable Bond Count | 9.0 |
| Logd | 4.121 |
| Compound Name | 1,11-Dodecadiene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 166.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.227209599999999 |
| Inchi | InChI=1S/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h3-4H,1-2,5-12H2 |
| Smiles | C=CCCCCCCCCC=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cephalotaxus Fortunei (Plant) Rel Props:Source_db:cmaup_ingredients