Cas no 192881-82-6 (Diethyl (pentadecan-2-yl)propanedioate)
192881-82-6 structure
Product Name:Diethyl (pentadecan-2-yl)propanedioate
CAS No:192881-82-6
MF:C22H42O4
MW:370.566487789154
CID:2787891
Update Time:2023-08-07
Diethyl (pentadecan-2-yl)propanedioate Chemical and Physical Properties
Names and Identifiers
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- Diethyl (pentadecan-2-yl)propanedioate
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- Inchi： 1S/C22H42O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19(4)20(21(23)25-6-2)22(24)26-7-3/h19-20H,5-18H2,1-4H3
- InChI Key： UVKPINZNHZFZAR-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)C(C)CCCCCCCCCCCCC)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 26
- Rotatable Bond Count: 19
- Complexity: 336
- XLogP3: 8.7
- Topological Polar Surface Area: 52.6
Diethyl (pentadecan-2-yl)propanedioate Related Literature
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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