Cas no 62456-97-7 (4-Octenedioic acid, 2,7-dipentyl-, monoethyl ester)
62456-97-7 structure
Product Name:4-Octenedioic acid, 2,7-dipentyl-, monoethyl ester
CAS No:62456-97-7
MF:C20H35O4
MW:339.489506959915
CID:444165
PubChem ID:71386216
Update Time:2025-04-19
4-Octenedioic acid, 2,7-dipentyl-, monoethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Octenedioic acid, 2,7-dipentyl-, monoethyl ester
- 7-ethoxycarbonyl-2-pentyldodec-4-enoate
- DTXSID80808405
- 62456-97-7
- 7-(Ethoxycarbonyl)-2-pentyldodec-4-enoate
-
- Inchi： 1S/C20H36O4/c1-4-7-9-13-17(19(21)22)14-11-12-16-18(15-10-8-5-2)20(23)24-6-3/h11-12,17-18H,4-10,13-16H2,1-3H3,(H,21,22)/p-1
- InChI Key： NNNRAOSFDQJQPQ-UHFFFAOYSA-M
- SMILES： O(CC)C(C(CC=CCC(C(=O)[O-])CCCCC)CCCCC)=O
Computed Properties
- Exact Mass: 339.25365
- Monoisotopic Mass: 339.25353459g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 24
- Rotatable Bond Count: 15
- Complexity: 357
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 6.9
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.43
4-Octenedioic acid, 2,7-dipentyl-, monoethyl ester Related Literature
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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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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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5. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
62456-97-7 (4-Octenedioic acid, 2,7-dipentyl-, monoethyl ester) Related Products
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