2-Methyl-6-methylene-7-octen-3-one
PubChem CID: 85845089
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| Compound Synonyms | 2-Methyl-6-methylene-7-octen-3-one, SCHEMBL18901602, IYFQOCPXUHQIMN-UHFFFAOYSA-N, 2-METHYL-6-METHYLENEOCT-7-EN-3-ONE, Q63408975 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 166.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-6-methylideneoct-7-en-3-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.1 |
| Molecular Formula | C10H16O |
| Prediction Swissadme | 0.0 |
| Inchi Key | IYFQOCPXUHQIMN-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -1.821 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.113 |
| Compound Name | 2-Methyl-6-methylene-7-octen-3-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3816694 |
| Inchi | InChI=1S/C10H16O/c1-5-9(4)6-7-10(11)8(2)3/h5,8H,1,4,6-7H2,2-3H3 |
| Smiles | CC(C)C(=O)CCC(=C)C=C |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Catha Edulis (Plant) Rel Props:Source_db:cmaup_ingredients