Bicyclohexyliden-2-one
PubChem CID: 13892
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| Compound Synonyms | 1011-12-7, 2-CYCLOHEXYLIDENECYCLOHEXANONE, Dianon, Cyclohexanone, 2-cyclohexylidene-, Bicyclohexyliden-2-one, 2-cyclohexylidenecyclohexan-1-one, Cyclohexanone, cyclohexylidene-, Cyclohexylidenecyclohexanone, [1,1'-Bi(cyclohexylidene)]-2-one, G1VAK47QOV, EINECS 213-779-9, NSC 61652, NSC-61652, 35255-48-2, 2-Cyclohexylidene-cyclohexanone, AI3-04026, DTXSID30862512, UNII-G1VAK47QOV, 2-Cyclohexylidenecyclohexanone, Dianon, Bicyclohexyliden-2-one, cyclohexylidene cyclohexanone, SCHEMBL131908, 2-cyclohexylidene cyclohexanone, DTXCID30811262, NSC61652, AKOS028108380, DB-286406, NS00012167, A10844, Q27278621, 213-779-9 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC1C1CCCCC1 |
| Deep Smiles | O=CCCCCC6=CCCCCC6 |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1CCCCC1C1CCCCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 230.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-cyclohexylidenecyclohexan-1-one |
| Class | Organooxygen compounds |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.9 |
| Superclass | Organic oxygen compounds |
| Subclass | Carbonyl compounds |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H18O |
| Scaffold Graph Node Bond Level | O=C1CCCCC1=C1CCCCC1 |
| Inchi Key | TYDSIOSLHQWFOU-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | bicyclohexyliden-2-one |
| Esol Class | Soluble |
| Functional Groups | CC(=O)C(C)=C(C)C |
| Compound Name | Bicyclohexyliden-2-one |
| Kingdom | Organic compounds |
| Exact Mass | 178.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 178.27 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H18O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H2 |
| Smiles | C1CCC(=C2CCCCC2=O)CC1 |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Cyclic ketones |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Reference:https://doi.org/10.1098/rsos.190211