Dicyclohexyl ketone
PubChem CID: 8403
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| Compound Synonyms | Dicyclohexyl ketone, 119-60-8, Dicyclohexylmethanone, Methanone, dicyclohexyl-, Cyclohexane ketone, KETONE, DICYCLOHEXYL, NSC 49725, EINECS 204-336-0, UNII-4JW244G15F, BRN 1909406, AI3-05564, 4JW244G15F, NSC-49725, NSC-60007, DTXSID7059488, TWXWPPKDQOWNSX-UHFFFAOYSA-, EC 204-336-0, 4-07-00-00262 (Beilstein Handbook Reference), dicyclohexyl-methanone, dicylohexyl ketone, Dicyclohexyl-methanone, Bicyclohexyl Ketone, Dicyclohexylmethanone, NSC 49725, NSC 60007, , MFCD00040417, Dodecahydrobenzophenone, Dicyclohexylmethanone #, Cyclohexyl ketone (8CI), Dicyclohexyl ketone, 98%, SCHEMBL346017, DTXCID5033466, NSC49725, NSC60007, AKOS009157166, BS-19979, DB-243398, CS-0130377, D2258, NS00020939, D84279, EN300-114489, Q27259791, 204-336-0 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 165.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | dicyclohexylmethanone |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C13H22O |
| Prediction Swissadme | 0.0 |
| Inchi Key | TWXWPPKDQOWNSX-UHFFFAOYSA-N |
| Fcsp3 | 0.9230769230769232 |
| Logs | -2.664 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.776 |
| Compound Name | Dicyclohexyl ketone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 194.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 194.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 194.31 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5020715999999994 |
| Inchi | InChI=1S/C13H22O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h11-12H,1-10H2 |
| Smiles | C1CCC(CC1)C(=O)C2CCCCC2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Scutellaria Barbata (Plant) Rel Props:Source_db:cmaup_ingredients