Cas no 5292-13-7 (Cyclohexaneacetic acid,1-hydroxy-, 1,1-dimethylethyl ester)
5292-13-7 structure
Product Name:Cyclohexaneacetic acid,1-hydroxy-, 1,1-dimethylethyl ester
CAS No:5292-13-7
MF:C12H22O3
MW:214.301284313202
CID:382612
PubChem ID:222427
Update Time:2025-04-19
Cyclohexaneacetic acid,1-hydroxy-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexaneacetic acid,1-hydroxy-, 1,1-dimethylethyl ester
- tert-butyl 2-(1-hydroxycyclohexyl)acetate
- (1-hydroxy-cyclohexyl)-acetic acid tert-butyl ester
- (1-Hydroxy-cyclohexyl)-essigsaeure-tert-butylester
- < 1-Hydroxy-cyclohexyl> -essigsaeure-tert-butylester
- < 1-Hydroxy-cyclohexyl> -essigsaeure-tert-butyl-ester
- 1-(tert-Butoxy-2-oxoethyl)cyclohexanol
- 2-hydroxycycohexanecarboxylate
- AC1L5BRV
- AC1Q5XLA
- AR-1L6127
- NSC8348
- tert-butyl(1-hydroxycyclohexyl)acetate
- SCHEMBL12329471
- DTXSID50278595
- 5292-13-7
- NSC-8348
-
- Inchi： 1S/C12H22O3/c1-11(2,3)15-10(13)9-12(14)7-5-4-6-8-12/h14H,4-9H2,1-3H3
- InChI Key： HDJCUAYVAKJGTJ-UHFFFAOYSA-N
- SMILES： OC1(CC(=O)OC(C)(C)C)CCCCC1
Computed Properties
- Exact Mass: 214.15696
- Monoisotopic Mass: 214.157
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 222
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- Density: 1.025
- Boiling Point: 286.3°Cat760mmHg
- Flash Point: 109.4°C
- Refractive Index: 1.474
- PSA: 46.53
- LogP: 2.41340
Cyclohexaneacetic acid,1-hydroxy-, 1,1-dimethylethyl ester Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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