Cas no 194426-97-6 (1,6-Bis(2-oxocyclopentyl)hexane-1,6-dione)
194426-97-6 structure
Product Name:1,6-Bis(2-oxocyclopentyl)hexane-1,6-dione
CAS No:194426-97-6
MF:C16H22O4
MW:278.343485355377
CID:2788502
Update Time:2023-08-07
1,6-Bis(2-oxocyclopentyl)hexane-1,6-dione Chemical and Physical Properties
Names and Identifiers
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- 1,6-BIS(2-OXOCYCLOPENTYL)HEXANE-1,6-DIONE
- 1,6-Bis(2-oxocyclopentyl)hexane-1,6-dione
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- Inchi： 1S/C16H22O4/c17-13(11-5-3-9-15(11)19)7-1-2-8-14(18)12-6-4-10-16(12)20/h11-12H,1-10H2
- InChI Key： SPJCPXMQEROBGN-UHFFFAOYSA-N
- SMILES： O=C1CCCC1C(CCCCC(C1C(CCC1)=O)=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 384
- XLogP3: 1.1
- Topological Polar Surface Area: 68.3
1,6-Bis(2-oxocyclopentyl)hexane-1,6-dione Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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