Cas no 38535-07-8 (Dimethyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate)
38535-07-8 structure
Product Name:Dimethyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate
CAS No:38535-07-8
MF:C12H22O6
MW:262.299484729767
CID:2186225
Update Time:2023-08-05
Dimethyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate Chemical and Physical Properties
Names and Identifiers
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- 2-Hydroxy-2-(4-hydroxy-4-methylpentyl)succinic acid dimethyl ester
- Dimethyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate
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- Inchi: 1S/C12H22O6/c1-11(2,15)6-5-7-12(16,10(14)18-4)8-9(13)17-3/h15-16H,5-8H2,1-4H3
- InChI Key: KHBKQGSSJZDPSJ-UHFFFAOYSA-N
- SMILES: OC(C(=O)OC)(CC(=O)OC)CCCC(C)(C)O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 299
- XLogP3: 0.1
- Topological Polar Surface Area: 93.1
Dimethyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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