1-(4-Methyl-3-cyclohexen-1-yl)-ethanone, (R)-
PubChem CID: 10909635
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Z7MYL7H1AA, UNII-Z7MYL7H1AA, 54973-16-9, Fema No. 4827, (R)-, 1-(4-Methyl-3-cyclohexen-1-yl)-ethanone, (R)-, FEMA NO. 4827, R-, Ethanone, 1-((1R)-4-methyl-3-cyclohexen-1-yl)-, 1-[(1R)-4-methylcyclohex-3-en-1-yl]ethan-1-one, SCHEMBL15450107, (R)-1-(4-Methylcyclohex-3-en-1-yl)ethan-1-one |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 168.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 1-[(1R)-4-methylcyclohex-3-en-1-yl]ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C9H14O |
| Prediction Swissadme | 0.0 |
| Inchi Key | HOBBEYSRFFJETF-VIFPVBQESA-N |
| Fcsp3 | 0.6666666666666666 |
| Logs | -2.255 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.62 |
| Compound Name | 1-(4-Methyl-3-cyclohexen-1-yl)-ethanone, (R)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 138.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 138.104 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 138.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.475102 |
| Inchi | InChI=1S/C9H14O/c1-7-3-5-9(6-4-7)8(2)10/h3,9H,4-6H2,1-2H3/t9-/m0/s1 |
| Smiles | CC1=CC[C@@H](CC1)C(=O)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Loropetalum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients