2-Methyl-6-(4-methylcyclohex-3-en-1-yl)hept-2-en-4-one
PubChem CID: 5315437
Connections displayed (default: 10).
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| Topological Polar Surface Area | 17.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 305.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-6-(4-methylcyclohex-3-en-1-yl)hept-2-en-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.0 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 0.0 |
| Inchi Key | JMKIZKOSXIDGGX-UHFFFAOYSA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -4.762 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.95 |
| Compound Name | 2-Methyl-6-(4-methylcyclohex-3-en-1-yl)hept-2-en-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4559071999999995 |
| Inchi | InChI=1S/C15H24O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,9,13-14H,6-8,10H2,1-4H3 |
| Smiles | CC1=CCC(CC1)C(C)CC(=O)C=C(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zingiber Officinale (Plant) Rel Props:Source_db:cmaup_ingredients