Cas no 3063-69-2 (Pentanoic acid, 4-oxo-,cyclohexyl ester)
3063-69-2 structure
Product Name:Pentanoic acid, 4-oxo-,cyclohexyl ester
CAS No:3063-69-2
MF:C11H18O3
MW:198.258823871613
CID:312303
PubChem ID:245568
Update Time:2025-04-19
Pentanoic acid, 4-oxo-,cyclohexyl ester Chemical and Physical Properties
Names and Identifiers
-
- Pentanoic acid, 4-oxo-,cyclohexyl ester
- cyclohexyl 4-oxopentanoate
- AC1L6G62
- AC1Q61LW
- AG-J-19664
- AR-1I3085
- CTK4G5515
- cyclohexyl levulinate
- Cyclohexyl-laevulinat
- Laevalinsaeurecyclohexylester
- Laevulinsaeure-cyclohexylester
- levulinic acid cyclohexyl ester
- NSC57642
- SureCN5613412
- 3063-69-2
- DTXSID90288799
- NSC-57642
- SCHEMBL5613412
-
- Inchi： 1S/C11H18O3/c1-9(12)7-8-11(13)14-10-5-3-2-4-6-10/h10H,2-8H2,1H3
- InChI Key： PQJDSRWCTFIVMD-UHFFFAOYSA-N
- SMILES： O(C(CCC(C)=O)=O)C1CCCCC1
Computed Properties
- Exact Mass: 198.12564
- Monoisotopic Mass: 198.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 205
- 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: 1.5
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Pentanoic acid, 4-oxo-,cyclohexyl ester Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
3063-69-2 (Pentanoic acid, 4-oxo-,cyclohexyl ester) Related Products
- 6243-10-3(Cyclohexyl hexanoate)
- 10018-78-7(4-(Cyclohexyloxy)-4-oxobutanoic acid)
- 41043-88-3(4-Oxocyclohexyl acetate)
- 1551-44-6(cyclohexyl butyrate)
- 1551-43-5(Cyclohexyl valerate)
- 21884-26-4(Pentanoic acid, 4-oxo-,1-methylethyl ester)
- 13562-81-7(Acetoacetic Acid 3-Pentyl Ester)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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