Cas no 93548-08-4 (Isoxazole, 3,5-dimethyl-4-pentyl- (9CI))
93548-08-4 structure
Product Name:Isoxazole, 3,5-dimethyl-4-pentyl- (9CI)
CAS No:93548-08-4
MF:C10H17NO
MW:167.248082876205
CID:999842
PubChem ID:45099334
Update Time:2025-04-20
Isoxazole, 3,5-dimethyl-4-pentyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Isoxazole, 3,5-dimethyl-4-pentyl- (9CI)
- 3,5-Dimethyl-4-pentylisoxazole
- 93548-08-4
- SCHEMBL18647926
- DB-287714
- Isoxazole, 3,5-dimethyl-4-pentyl-
-
- Inchi： 1S/C10H17NO/c1-4-5-6-7-10-8(2)11-12-9(10)3/h4-7H2,1-3H3
- InChI Key： SSVCSNWFKKQQRP-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(C)=N1)CCCCC
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: 4
- Complexity: 127
- 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: 3.6
Isoxazole, 3,5-dimethyl-4-pentyl- (9CI) Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
93548-08-4 (Isoxazole, 3,5-dimethyl-4-pentyl- (9CI)) Related Products
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