Cas no 70197-61-4 (dimethyl 2,2'-cyclohexane-1,1-diyldiacetate)
70197-61-4 structure
Product Name:dimethyl 2,2'-cyclohexane-1,1-diyldiacetate
CAS No:70197-61-4
MF:C12H20O4
MW:228.284804344177
CID:1742214
PubChem ID:12530961
Update Time:2025-04-21
dimethyl 2,2'-cyclohexane-1,1-diyldiacetate Chemical and Physical Properties
Names and Identifiers
-
- dimethyl 2,2'-cyclohexane-1,1-diyldiacetate
- 1,1-cyclohexanediacetic acid, dimethyl ester
- LogP
- dimethyl 1,1-cyclohexanediacetate
- DA-34842
- cyclohexane-1,1-diacetic acid dimethyl ester
- SCHEMBL4691009
- 70197-61-4
- NOKMZYNKIHUZBI-UHFFFAOYSA-N
-
- Inchi： 1S/C12H20O4/c1-15-10(13)8-12(9-11(14)16-2)6-4-3-5-7-12/h3-9H2,1-2H3
- InChI Key： NOKMZYNKIHUZBI-UHFFFAOYSA-N
- SMILES： O(C)C(CC1(CC(=O)OC)CCCCC1)=O
Computed Properties
- Exact Mass: 228.1362
- Monoisotopic Mass: 228.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 234
- 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: 52.6?2
Experimental Properties
- PSA: 52.6
dimethyl 2,2'-cyclohexane-1,1-diyldiacetate Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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