(Z)-2,3,3-Trimethyl-4-nonene
PubChem CID: 5365834
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| Compound Synonyms | (Z)-2,3,3-Trimethyl-4-nonene, PHLRMLKPHZLDKR-KTKRTIGZSA-N, (4Z)-2,3,3-Trimethyl-4-nonene #, DB-300153 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 129.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-2,3,3-trimethylnon-4-ene |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C12H24 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PHLRMLKPHZLDKR-KTKRTIGZSA-N |
| Fcsp3 | 0.8333333333333334 |
| Logs | -4.32 |
| Rotatable Bond Count | 5.0 |
| Logd | 5.075 |
| Compound Name | (Z)-2,3,3-Trimethyl-4-nonene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 168.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 168.188 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 168.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.8863088 |
| Inchi | InChI=1S/C12H24/c1-6-7-8-9-10-12(4,5)11(2)3/h9-11H,6-8H2,1-5H3/b10-9- |
| Smiles | CCCC/C=C\C(C)(C)C(C)C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients