(5E)-2,5-Dimethyl-3-methylene-1,5-heptadiene
PubChem CID: 5362891
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| Compound Synonyms | NUVZHUHADLUEJS-RMKNXTFCSA-N, (5E)-2,5-Dimethyl-3-methylene-1,5-heptadiene # |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 170.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5E)-2,5-dimethyl-3-methylidenehepta-1,5-diene |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C10H16 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NUVZHUHADLUEJS-RMKNXTFCSA-N |
| Fcsp3 | 0.4 |
| Logs | -3.361 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.064 |
| Compound Name | (5E)-2,5-Dimethyl-3-methylene-1,5-heptadiene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 136.125 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 136.125 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 136.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.4224756 |
| Inchi | InChI=1S/C10H16/c1-6-9(4)7-10(5)8(2)3/h6H,2,5,7H2,1,3-4H3/b9-6+ |
| Smiles | C/C=C(\C)/CC(=C)C(=C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all