Cas no 220179-93-1 (Tert-Butyl 4-hydroxycyclohexanecarboxylate)
220179-93-1 structure
Product Name:Tert-Butyl 4-hydroxycyclohexanecarboxylate
CAS No:220179-93-1
MF:C11H20O3
MW:200.274703979492
CID:2149629
Update Time:2023-08-05
Tert-Butyl 4-hydroxycyclohexanecarboxylate Chemical and Physical Properties
Names and Identifiers
-
- tert-butyl 4-hydroxycyclohexanecarboxylate
- cis-tert-Butyl 4-hydroxycyclohexane-1-carboxylate
- tert-Butyl (1r,4r)-4-hydroxycyclohexane-1-carboxylate
- trans-4-Hydroxy-cyclohexane-carboxylic acid tert-butyl ester
- tert-butyl trans-4-hydroxycyclohexanecarboxylate
- MVSANBPTBLEQMT-DTORHVGOSA-N
- MVSANBPTBLEQMT-UHFFFAOYSA-N
- MVSANBPTBLEQMT-KYZUINATSA-N
- trans-tert-Butyl 4-hydroxycyclohexanecarboxy
- Tert-Butyl 4-hydroxycyclohexanecarboxylate
-
- Inchi: 1S/C11H20O3/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h8-9,12H,4-7H2,1-3H3
- InChI Key: MVSANBPTBLEQMT-UHFFFAOYSA-N
- SMILES: O(C(C)(C)C)C(C1CCC(CC1)O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 197
- Topological Polar Surface Area: 46.5
Tert-Butyl 4-hydroxycyclohexanecarboxylate Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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