Cyclohexanone, 2-methyl-5-(1-methylethyl)-
PubChem CID: 10362
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| Compound Synonyms | 59471-80-6, Carvomenthone, 499-70-7, Cyclohexanone, 2-methyl-5-(1-methylethyl)-, Tetrahydrocarvone, 5-Isopropyl-2-methylcyclohexanone, p-Menthan-2-one, 5-Isopropyl-2-methyl-cyclohexanone, 2-methyl-5-propan-2-ylcyclohexan-1-one, FEMA 3176, 2-Methyl-5-(1-methylethyl)cyclohexanone, 2-Methyl-5-(1-methylethyl)-Cyclohexanone, AI3-27538, DTXSID90862053, MFCD06252433, NSC 96750, (E)-para-menthan-2-one, FEMA No. 3176, trans-5-Isopropyl-2-methylcyclohexan-1-one, P-MENTHAN-2-ONE [FHFI], L-menthanone, 2-methyl-5-(propan-2-yl)cyclohexan-1-one, trans-5-Isopropyl-2-methylcyclohexanone, TETRAHIDROCARVONA, SCHEMBL812088, DTXCID10220691, CHEBI:167371, NSC96744, NSC96750, NSC-96744, NSC-96750, AKOS005256419, DB-053397, NS00012752, 611-835-0 |
|---|---|
| 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 |
| Np Classifier Class | Menthane monoterpenoids |
| Deep Smiles | CCCCCCC=O)C6))C)))))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Description | Flavouring ingredient. p-Menthan-2-one is found in cornmint. |
| Scaffold Graph Node Level | OC1CCCCC1 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-methyl-5-propan-2-ylcyclohexan-1-one |
| Class | Prenol lipids |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 2.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Monoterpenoids |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H18O |
| Scaffold Graph Node Bond Level | O=C1CCCCC1 |
| Inchi Key | GCRTVIUGJCJVDD-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 2-Methyl-5-(1-methylethyl)-cyclohexanone, 2-Methyl-5-(1-methylethyl)cyclohexanone, 5-Isopropyl-2-methylcyclohexanone, Carvomenthone, Cyclohexanone, 2-methyl-5-(1-methylethyl)-, FEMA 3176, Tetrahydrocarvone, trans-5-Isopropyl-2-methylcyclohexan-1-one, trans-5-Isopropyl-2-methylcyclohexanone, carvomenthone |
| Esol Class | Soluble |
| Functional Groups | CC(C)=O |
| Compound Name | Cyclohexanone, 2-methyl-5-(1-methylethyl)- |
| Kingdom | Organic compounds |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h7-9H,4-6H2,1-3H3 |
| Smiles | CC1CCC(CC1=O)C(C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Menthane monoterpenoids |
| Np Classifier Superclass | Monoterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Arctium Lappa (Plant) Rel Props:Reference:https://doi.org/10.4103/1687-4315.124036 - 2. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.2730040414 - 3. Outgoing r'ship
FOUND_INto/from Mentha Arvensis (Plant) Rel Props:Source_db:fooddb_chem_all - 4. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9770972795006 - 5. Outgoing r'ship
FOUND_INto/from Tarchonanthus Camphoratus (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10644049