Ethyl cyclohexylacetate
PubChem CID: 21595
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| Compound Synonyms | Ethyl cyclohexylacetate, ethyl 2-cyclohexylacetate, 5452-75-5, Ethyl cyclohexaneacetate, CYCLOHEXANEACETIC ACID, ETHYL ESTER, ethyl-2-cyclohexylacetate, EINECS 226-695-2, NSC 18985, UNII-V36O028G9R, BRN 2043392, Cyclohexylacetic acid ethyl ester, AI3-14042, ethyl cyclohexyl acetate, V36O028G9R, MFCD00001517, NSC-18985, DTXSID4063901, ZBDAMDWKXGTKBT-UHFFFAOYSA-, 4-09-00-00038 (Beilstein Handbook Reference), ETHYL .ALPHA.-CYCLOHEXYLACETATE, ETHYLCYCLOHEXYLACETATE, Cyclohexaneacetic Acid Ethyl Ester, Cyclohexyl acetic acid ethyl ester, cyclohexane=ethyl acetate, WLN: L6TJ A1VO2, SCHEMBL18797, DTXCID4041737, cyclohexyl-acetic acid ethyl ester, Ethyl cyclohexaneacetate, >=98%, 2-cyclohexylacetic acid ethyl ester, ETHYL ALPHA-CYCLOHEXYLACETATE, NSC18985, AKOS008949070, BS-23572, SY051481, DB-071865, NS00012387, D89353, Q27291477, 226-695-2 |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 12.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 137.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | ethyl 2-cyclohexylacetate |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C10H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZBDAMDWKXGTKBT-UHFFFAOYSA-N |
| Fcsp3 | 0.9 |
| Logs | -3.456 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.958 |
| Compound Name | Ethyl cyclohexylacetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6223624 |
| Inchi | InChI=1S/C10H18O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3 |
| Smiles | CCOC(=O)CC1CCCCC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Kaempferia Galanga (Plant) Rel Props:Source_db:cmaup_ingredients