Cas no 13225-62-2 (Benzene, 1,1'-(1,7-octadiyne-1,8-diyl)bis-)
13225-62-2 structure
Product Name:Benzene, 1,1'-(1,7-octadiyne-1,8-diyl)bis-
CAS No:13225-62-2
MF:C20H18
MW:258.356925487518
CID:1229796
PubChem ID:11846090
Update Time:2025-04-20
Benzene, 1,1'-(1,7-octadiyne-1,8-diyl)bis- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,1'-(1,7-octadiyne-1,8-diyl)bis-
- 8-phenylocta-1,7-diynylbenzene
- 13225-62-2
- DTXSID20474360
-
- Inchi： 1S/C20H18/c1(3-7-13-19-15-9-5-10-16-19)2-4-8-14-20-17-11-6-12-18-20/h5-6,9-12,15-18H,1-4H2
- InChI Key： WRAUIFZBNJLIKX-UHFFFAOYSA-N
- SMILES： C(CC#CC1C=CC=CC=1)CCC#CC1C=CC=CC=1
Computed Properties
- Exact Mass: 258.14094
- Monoisotopic Mass: 258.140850574g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 20
- Rotatable Bond Count: 5
- Complexity: 339
- 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: 6
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 1,1'-(1,7-octadiyne-1,8-diyl)bis- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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