Cas no 103245-40-5 (Hexanoic acid, 5-hydroxy-, 1,1-dimethylethyl ester)
103245-40-5 structure
Product Name:Hexanoic acid, 5-hydroxy-, 1,1-dimethylethyl ester
CAS No:103245-40-5
MF:C10H20O3
MW:188.264003753662
CID:1136209
PubChem ID:11127034
Update Time:2025-04-20
Hexanoic acid, 5-hydroxy-, 1,1-dimethylethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid, 5-hydroxy-, 1,1-dimethylethyl ester
- tert-butyl 5-hydroxyhexanoate
- DTXSID90456158
- SCHEMBL396124
- 103245-40-5
-
- Inchi： 1S/C10H20O3/c1-8(11)6-5-7-9(12)13-10(2,3)4/h8,11H,5-7H2,1-4H3
- InChI Key： WOXYNSMKMHSRMM-UHFFFAOYSA-N
- SMILES： O(C(CCCC(C)O)=O)C(C)(C)C
Computed Properties
- Exact Mass: 188.1413
- Monoisotopic Mass: 188.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 6
- Complexity: 158
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Hexanoic acid, 5-hydroxy-, 1,1-dimethylethyl ester Related Literature
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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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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
103245-40-5 (Hexanoic acid, 5-hydroxy-, 1,1-dimethylethyl ester) Related Products
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