Cas no 93548-16-4 (Isoxazole, 3,5-dimethyl-4-(3-methylbutyl)- (9CI))
93548-16-4 structure
Product Name:Isoxazole, 3,5-dimethyl-4-(3-methylbutyl)- (9CI)
CAS No:93548-16-4
MF:C10H17NO
MW:167.248082876205
CID:999843
PubChem ID:45099333
Update Time:2025-04-20
Isoxazole, 3,5-dimethyl-4-(3-methylbutyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 3,5-dimethyl-4-(3-methylbutyl)- (9CI)
- 93548-16-4
- SCHEMBL22722097
- 4-Isopentyl-3,5-dimethylisoxazole
- DB-287712
- Isoxazole, 3,5-dimethyl-4-(3-methylbutyl)-
-
- Inchi： 1S/C10H17NO/c1-7(2)5-6-10-8(3)11-12-9(10)4/h7H,5-6H2,1-4H3
- InChI Key： DCERTATUPWSDGS-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(C)=N1)CCC(C)C
Computed Properties
- Exact Mass: 167.131
- Monoisotopic Mass: 167.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 136
- 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
- Topological Polar Surface Area: 26A^2
- XLogP3: 3.3
Isoxazole, 3,5-dimethyl-4-(3-methylbutyl)- (9CI) Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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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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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
93548-16-4 (Isoxazole, 3,5-dimethyl-4-(3-methylbutyl)- (9CI)) Related Products
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