3,5-Dodecadiene, 2-methyl-
PubChem CID: 5368943
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| Compound Synonyms | 3,5-Dodecadiene, 2-methyl-, 28980-74-7, NSC147140, (3E,5E)-2-methyldodeca-3,5-diene, HULVBFBDOCMWOT-HULFFUFUSA-N, DTXSID601340756, NSC-147140, (3E,5E)-2-Methyl-3,5-dodecadiene #, 90083-37-7 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 140.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (3E,5E)-2-methyldodeca-3,5-diene |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C13H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HULVBFBDOCMWOT-HULFFUFUSA-N |
| Fcsp3 | 0.6923076923076923 |
| Logs | -4.66 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.378 |
| Compound Name | 3,5-Dodecadiene, 2-methyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 180.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 180.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 180.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -4.0681769999999995 |
| Inchi | InChI=1S/C13H24/c1-4-5-6-7-8-9-10-11-12-13(2)3/h9-13H,4-8H2,1-3H3/b10-9+,12-11+ |
| Smiles | CCCCCC/C=C/C=C/C(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Portulaca Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients