1,1-Dimethoxycyclohexane
PubChem CID: 13616
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| Compound Synonyms | 1,1-DIMETHOXYCYCLOHEXANE, 933-40-4, Cyclohexanone dimethyl ketal, Cyclohexane, 1,1-dimethoxy-, Cyclohexanone Dimethylketal, Cyclohexanone, dimethyl acetal, DTXSID00239373, dimethoxycyclohexane, 1,1-dimethoxy-cyclohexane, MFCD00043714, cyclohexanone-dimethylacetal, SCHEMBL201561, DTXCID20161864, Cyclohexanone dimethyl ketal, 99%, AAA93340, AKOS015851762, BS-22409, DB-080889, CS-0179761, D1372, NS00096268, G77621, 629-653-5 |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 89.4 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,1-dimethoxycyclohexane |
| Prediction Hob | 1.0 |
| Xlogp | 1.7 |
| Molecular Formula | C8H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XPIJMQVLTXAGME-UHFFFAOYSA-N |
| Fcsp3 | 1.0 |
| Logs | -0.745 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.923 |
| Compound Name | 1,1-Dimethoxycyclohexane |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 144.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 144.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 144.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.6479268 |
| Inchi | InChI=1S/C8H16O2/c1-9-8(10-2)6-4-3-5-7-8/h3-7H2,1-2H3 |
| Smiles | COC1(CCCCC1)OC |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rehmannia Glutinosa (Plant) Rel Props:Source_db:cmaup_ingredients