Cas no 17851-38-6 (Cyclohexanebutanoicacid, ethyl ester)
17851-38-6 structure
Product Name:Cyclohexanebutanoicacid, ethyl ester
CAS No:17851-38-6
MF:C12H22O2
MW:198.301884174347
CID:226608
PubChem ID:346649
Update Time:2025-04-19
Cyclohexanebutanoicacid, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanebutanoicacid, ethyl ester
- ethyl 4-cyclohexylbutanoate
- 4-Cyclohexyl-buttersaeure-aethylester
- 4-cyclohexylbutyric acid ethyl ester
- 4-cyclohexyl-butyric acid ethyl ester
- AC1L85GV
- NSC404925
- SureCN5827221
- 17851-38-6
- AKOS017265125
- DTXSID90323811
- NSC-404925
- SCHEMBL5827221
-
- Inchi： 1S/C12H22O2/c1-2-14-12(13)10-6-9-11-7-4-3-5-8-11/h11H,2-10H2,1H3
- InChI Key： WPXJWOPKMCYCRW-UHFFFAOYSA-N
- SMILES： O(CC)C(CCCC1CCCCC1)=O
Computed Properties
- Exact Mass: 198.16206
- Monoisotopic Mass: 198.161979940g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 160
- 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: 4.1
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
- LogP: 3.30010
Cyclohexanebutanoicacid, ethyl ester Related Literature
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
17851-38-6 (Cyclohexanebutanoicacid, ethyl ester) Related Products
- 109-19-3(Butyl 3-methylbutanoate)
- 106-27-4(Isopentyl butyrate)
- 1341-38-4(6-Methylheptyl palmitate)
- 5870-68-8(Ethyl 3-Methylvalerate)
- 10138-59-7(1,2-Cyclohexanedicarboxylic Acid Diethyl Ester)
- 103-23-1(Bis(2-ethylhexyl)adipate)
- 14352-61-5(Methylcyclohexaneacetate)
- 557-00-6(propyl isovalerate)
- 659-70-1(Isopentyl 3-methylbutanoate)
- 2035-99-6(Isopentyl octanoate)
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