Bicyclohexyl
PubChem CID: 7094
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| Compound Synonyms | Bicyclohexyl, 92-51-3, 1,1'-Bicyclohexyl, Cyclohexylcyclohexane, DICYCLOHEXYL, Bicyclohexane, Dicyclohexane, Dodecahydrobiphenyl, Cyclohexane, cyclohexyl-, 1,1'-Biphenyl, dodecahydro-, 1,1-Bicyclohexyl, NSC 59855, EINECS 202-161-4, MFCD00003815, Cyclohexyl Cyclohexane, DTXSID8021802, AI3-01174, UNII-Y77501141O, NSC-59855, DTXCID501802, Y77501141O, 1,1'-BI(CYCLOHEXYL), bi(cyclohexane), 1, dodecahydro-, cyclohexylcyclohexan, Bicyclohexyl, 99%, Cyclohexane, cyclohexyl, 1,1'-Bi(cyclohexane), 1,1'Biphenyl, dodecahydro, CHEMBL1231413, AAA09251, NSC59855, Tox21_302104, AKOS005207082, CAS-92-51-3, NCGC00255206-01, BS-29633, SY012941, DB-057310, B0902, CS-0081506, NS00021387, N10369, Q21099094, Dicyclohexyl, United States Pharmacopeia (USP) Reference Standard, 202-161-4 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CCCCC2)CC1 |
| Np Classifier Class | Lactones |
| Deep Smiles | CCCCCC6))CCCCCC6 |
| Heavy Atom Count | 12.0 |
| Classyfire Class | Saturated hydrocarbons |
| Scaffold Graph Node Level | C1CCC(C2CCCCC2)CC1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 100.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q03181 |
| Iupac Name | cyclohexylcyclohexane |
| Prediction Hob | 1.0 |
| Class | Saturated hydrocarbons |
| Veber Rule | True |
| Classyfire Superclass | Hydrocarbons |
| Xlogp | 5.7 |
| Superclass | Hydrocarbons |
| Gsk 4 400 Rule | False |
| Molecular Formula | C12H22 |
| Scaffold Graph Node Bond Level | C1CCC(C2CCCCC2)CC1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WVIIMZNLDWSIRH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 1.0 |
| Logs | -6.13 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.279 |
| Synonyms | cyclohexylcyclohexane |
| Esol Class | Moderately soluble |
| Compound Name | Bicyclohexyl |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 166.172 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 166.172 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 166.3 |
| Gi Absorption | False |
| 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 |
| Esol | -4.3961096 |
| Inchi | InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2 |
| Smiles | C1CCC(CC1)C2CCCCC2 |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Saturated hydrocarbons |
| Np Classifier Superclass | Fatty esters |
- 1. Outgoing r'ship
FOUND_INto/from Acacia Aulacocarpa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Anemone Flaccida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Ardisia Neriifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Aspidosperma Subincanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Cryptocarya Aschersoniana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Eupatorium Argentinum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Guatteria Boliviana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Juniperus Brevifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Kaempferia Rotunda (Plant) Rel Props:Reference:https://doi.org/10.1002/ffj.1284 - 10. Outgoing r'ship
FOUND_INto/from Lonicera Japonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Peritassa Compta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Psiadia Dentata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Rheedia Acuminata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all