2-Methylcyclohexanone
PubChem CID: 11419
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-METHYLCYCLOHEXANONE, 583-60-8, 2-methylcyclohexan-1-one, o-Methylcyclohexanone, 2-Methyl-1-cyclohexanone, Cyclohexanone, 2-methyl-, 2-Metilcicloesanone, Tetrahydro-o-cresol, alpha-Methylcyclohexanone, 2-METHYL CYCLOHEXANONE, .alpha.-Methylcyclohexanone, 2-Methyl-cyclohexanon, 2-Metilcicloesanone [Italian], HSDB 2917, NSC 524, EINECS 209-513-6, (+/-)-2-methylcyclohexanone, UNII-56E8224ZFJ, METHYL ANONE, AI3-15915, NSC-524, 56E8224ZFJ, MFCD00001635, DTXSID6052245, FEMA NO. 3946, FEMA 3946, 2-METHYLCYCLOHEXANONE [FHFI], 2-METHYLCYCLOHEXANONE [HSDB], Methylanon, Sexton B, 2-METILCICLOESANONE (ITALIAN), 2-Methyl-cyclohexanon [German, Dutch], 2Metilcicloesanone, 2methylcyclohexanon, oMethylcyclohexanone, 2methylcyclohexanone, methyl cyclohexanone, 2Methyl1cyclohexanone, 2-methyl-cyclohexanone, alphaMethylcyclohexanone, methylcyclohexan-1-one, ortho-methylcyclohexanone, BDBM7, 2-methylcyclohexane-1-one, 2-methyl-cyclohexan-1-one, WLN: L6VTJ B1, SCHEMBL20714, 2-Methylcyclohexanone, 99%, NSC524, 2-Methylcyclohexanone, >=98%, CHEMBL1946183, DTXCID1030816, CHEBI:195390, AAA58360, BBL011421, STL146528, AKOS000120364, AKOS016352943, CS-W011265, FS-4895, HY-W010549, 2-Methylcyclohexanone, ND25=1,4449, Cyclohexanone, 2-methyl-, (.+/-.)-, 2-Methylcyclohexanone, analytical standard, PD164977, DB-012320, DB-308415, M0197, NS00020527, NS00081365, EN300-20182, D77719, Q20968563, F0001-1522, Z104477192, 2-Methyl-cyclohexanon (german, dutch)o-methylcyclohexanone, 209-513-6 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC1 |
| Deep Smiles | CCCCCCC6=O |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organooxygen compounds |
| Description | It is used as a food additive . |
| Scaffold Graph Node Level | OC1CCCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 96.6 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methylcyclohexan-1-one |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.5 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H12O |
| Scaffold Graph Node Bond Level | O=C1CCCCC1 |
| Inchi Key | LFSAPCRASZRSKS-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2-Methyl-1-cyclohexanone, 2-Methylcyclohexanone, alpha-Methylcyclohexanone, FEMA 3946, o-Methylcyclohexanone, Tetrahydro-o-cresol, O-Methylcyclohexanone, tetrahydro-O-Cresol, 2-methylcyclohexanone |
| Esol Class | Very soluble |
| Functional Groups | CC(C)=O |
| Compound Name | 2-Methylcyclohexanone |
| Kingdom | Organic compounds |
| Exact Mass | 112.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 112.089 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 112.17 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C7H12O/c1-6-4-2-3-5-7(6)8/h6H,2-5H2,1H3 |
| Smiles | CC1CCCCC1=O |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Cyclic ketones |
- 1. Outgoing r'ship
FOUND_INto/from Aesculus Hippocastanum (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.1994.9698436