Cas no 25415-76-3 (2-Butenoic acid, pentylester)
2-Butenoic acid, pentylester structure
Product Name:2-Butenoic acid, pentylester
CAS No:25415-76-3
MF:C9H16O2
MW:156.222143173218
CID:272726
PubChem ID:6045488
Update Time:2025-04-19
2-Butenoic acid, pentylester Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenoic acid, pentylester
- pentyl but-2-enoate
- amyl crotonate
- pentyl 2-butenoate
- SCHEMBL182438
- PWYYERNADDIMJR-QPJJXVBHSA-N
- AI3-06016
- 25415-76-3
- SCHEMBL1068258
- CHEMBL3273385
- 2-Butenoic acid, pentyl ester
- Q63398806
- NSC 53944
- SCHEMBL6401817
- EINECS 246-956-4
-
- Inchi： 1S/C9H16O2/c1-3-5-6-8-11-9(10)7-4-2/h4,7H,3,5-6,8H2,1-2H3/b7-4+
- InChI Key： PWYYERNADDIMJR-QPJJXVBHSA-N
- SMILES： O(C(/C=C/C)=O)CCCCC
Computed Properties
- Exact Mass: 156.11508
- Monoisotopic Mass: 156.115029749g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 6
- Complexity: 128
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
- LogP: 2.29590
2-Butenoic acid, pentylester Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
25415-76-3 (2-Butenoic acid, pentylester) Related Products
- 1330-75-2(Diisooctyl fumarate)
- 1330-76-3(Bis(6-methylheptyl) maleate)
- 2997-85-5(Dioctyl fumarate)
- 142-16-5(Bis(2-ethylhexyl)maleate)
- 19139-31-2(Di-N-hexyl Fumarate)
- 105-76-0(Dibutyl maleate)
- 2915-53-9(Dioctyl maleate)
- 19089-92-0(Hexyl trans-2-butenoate)
- 105-75-9(Dibutyl fumarate)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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