Cas no 61468-83-5 (Benzene, 1-heptyl-4-[(4-pentylphenyl)ethynyl]-)
![Benzene, 1-heptyl-4-[(4-pentylphenyl)ethynyl]- structure](https://ossimg.kuujia.com/scimg/61500/61468-83-5x500.png)
61468-83-5 structure
Product Name:Benzene, 1-heptyl-4-[(4-pentylphenyl)ethynyl]-
CAS No:61468-83-5
MF:C26H34
MW:346.548167705536
CID:478190
PubChem ID:71395569
Update Time:2025-04-19
Benzene, 1-heptyl-4-[(4-pentylphenyl)ethynyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-heptyl-4-[(4-pentylphenyl)ethynyl]-
- 1-heptyl-4-[2-(4-pentylphenyl)ethynyl]benzene
- DTXSID80817178
- 1-Heptyl-4-[(4-pentylphenyl)ethynyl]benzene
- 61468-83-5
-
- Inchi： 1S/C26H34/c1-3-5-7-8-10-12-24-15-19-26(20-16-24)22-21-25-17-13-23(14-18-25)11-9-6-4-2/h13-20H,3-12H2,1-2H3
- InChI Key： MZMDSFLYEHBRQG-UHFFFAOYSA-N
- SMILES： C(CCC1C=CC(C#CC2C=CC(=CC=2)CCCCC)=CC=1)CCCC
Computed Properties
- Exact Mass: 346.26622
- Monoisotopic Mass: 346.266051085g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 26
- Rotatable Bond Count: 12
- Complexity: 392
- 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: 9.9
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 1-heptyl-4-[(4-pentylphenyl)ethynyl]- Related Literature
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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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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
61468-83-5 (Benzene, 1-heptyl-4-[(4-pentylphenyl)ethynyl]-) Related Products
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