1-Cyclohexyl-3-ethoxy-2-butanone
PubChem CID: 552107
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| Compound Synonyms | 1-Cyclohexyl-3-ethoxy-2-butanone, 74897-69-1, DTXSID70338943, DTXCID00290025, OSUQBOYBODOLJQ-UHFFFAOYSA-N, 1-Cyclohexyl-3-ethoxy-butan-2-one, 1-Cyclohexyl-3-ethoxy-2-butanone # |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 171.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-cyclohexyl-3-ethoxybutan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C12H22O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OSUQBOYBODOLJQ-UHFFFAOYSA-N |
| Fcsp3 | 0.9166666666666666 |
| Logs | -2.528 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.785 |
| Compound Name | 1-Cyclohexyl-3-ethoxy-2-butanone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 198.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 198.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 198.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.799597199999999 |
| Inchi | InChI=1S/C12H22O2/c1-3-14-10(2)12(13)9-11-7-5-4-6-8-11/h10-11H,3-9H2,1-2H3 |
| Smiles | CCOC(C)C(=O)CC1CCCCC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pterocarpus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients