(+)-3-Methylcyclohexanone
PubChem CID: 83384
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| Compound Synonyms | (+)-3-Methylcyclohexanone, 13368-65-5, (R)-(+)-3-Methylcyclohexanone, (3R)-3-methylcyclohexan-1-one, 3-Methylcyclohexanone, (+)-, (+)-(3R)-3-Methylcyclohexanone, Cyclohexanone, 3-methyl-, (R)-, (3R)-3-Methylcyclohexanone, (r)-3-methylcyclohexanone, UNII-72794G6S5C, (3R)-(+)-3-methylcyclohexanone, EINECS 236-438-6, 72794G6S5C, R-3-Methylcyclohexan-1-one, Cyclohexanone, 3-methyl-, (3R)-, (+)-3-METHYL-1-CYCLOHEXANONE, (3R)-3-METHYLCYCLOHEXANONE, (+)-, (r)-3-methyl-cyclohexanone, SCHEMBL38785, Cyclohexanone,3-methyl-,(3R)-, CHEBI:195659, AKOS015913337, (R)-3-METHYLCYCLOHEXAN-1-ONE, (R)-(+)-3-Methylcyclohexanone, 98%, CS-0217860, NS00113752, EN300-90456, Q27266029 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 96.6 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3-methylcyclohexan-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Molecular Formula | C7H12O |
| Prediction Swissadme | 0.0 |
| Inchi Key | UJBOOUHRTQVGRU-ZCFIWIBFSA-N |
| Fcsp3 | 0.8571428571428571 |
| Logs | -0.71 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.446 |
| Compound Name | (+)-3-Methylcyclohexanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 112.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 112.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3985664 |
| Inchi | InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3/t6-/m1/s1 |
| Smiles | C[C@@H]1CCCC(=O)C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mentha Canadensis (Plant) Rel Props:Source_db:cmaup_ingredients