Cas no 59894-13-2 (Propanedioic acid, ethyl-4-pentenyl-, diethyl ester)
59894-13-2 structure
Product Name:Propanedioic acid, ethyl-4-pentenyl-, diethyl ester
CAS No:59894-13-2
MF:C14H24O4
MW:256.337965011597
CID:336941
PubChem ID:71442638
Update Time:2025-04-19
Propanedioic acid, ethyl-4-pentenyl-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Propanedioic acid, ethyl-4-pentenyl-, diethyl ester
- diethyl 2-ethyl-2-pent-4-enylpropanedioate
- AKOS030239753
- DTXSID30851502
- 59894-13-2
- Diethyl ethyl(pent-4-en-1-yl)propanedioate
-
- Inchi： 1S/C14H24O4/c1-5-9-10-11-14(6-2,12(15)17-7-3)13(16)18-8-4/h5H,1,6-11H2,2-4H3
- InChI Key： MTAHGEHHCMYNTH-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(CC)CCCC=C)=O
Computed Properties
- Exact Mass: 256.16752
- Monoisotopic Mass: 256.16745924g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 11
- Complexity: 266
- 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: 3.6
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
Propanedioic acid, ethyl-4-pentenyl-, diethyl ester Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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