Cas no 101336-13-4 (2-Thiophenepentanoic acid, 5-(3-phenylpropyl)-, ethyl ester)
101336-13-4 structure
Product Name:2-Thiophenepentanoic acid, 5-(3-phenylpropyl)-, ethyl ester
CAS No:101336-13-4
MF:C20H26O2S
MW:330.484244823456
CID:1131670
PubChem ID:15667456
Update Time:2025-04-20
2-Thiophenepentanoic acid, 5-(3-phenylpropyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenepentanoic acid, 5-(3-phenylpropyl)-, ethyl ester
- ethyl 5-[5-(3-phenylpropyl)thiophen-2-yl]pentanoate
- SCHEMBL10597800
- Ethyl 5-[5-(3-phenylpropyl)-thien-2-yl]-valerate
- 101336-13-4
- DTXSID30576581
- OSHHFFHZFZVNLU-UHFFFAOYSA-N
-
- Inchi： 1S/C20H26O2S/c1-2-22-20(21)14-7-6-12-18-15-16-19(23-18)13-8-11-17-9-4-3-5-10-17/h3-5,9-10,15-16H,2,6-8,11-14H2,1H3
- InChI Key： OSHHFFHZFZVNLU-UHFFFAOYSA-N
- SMILES： S1C(=CC=C1CCCCC(=O)OCC)CCCC1C=CC=CC=1
Computed Properties
- Exact Mass: 330.165351g/mol
- Monoisotopic Mass: 330.165351g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 11
- Complexity: 326
- 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
- Molecular Weight: 330.5g/mol
- XLogP3: 5.4
- Topological Polar Surface Area: 54.5?2
2-Thiophenepentanoic acid, 5-(3-phenylpropyl)-, ethyl ester Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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