Cas no 165047-95-0 (Benzene,1,3-diethynyl-5-methyl-)
165047-95-0 structure
Product Name:Benzene,1,3-diethynyl-5-methyl-
CAS No:165047-95-0
MF:C11H8
MW:140.181222915649
CID:110502
PubChem ID:45079326
Update Time:2025-04-18
Benzene,1,3-diethynyl-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1,3-diethynyl-5-methyl-
- 1,3-diethynyl-5-methylbenzene
- Benzene, 1,3-diethynyl-5-methyl- (9CI)
- DTXSID70663686
- 3,5-diethynyltoluene
- Benzene,1,3-diethynyl-5-methyl-(9ci)
- BENZENE, 1,3-DIETHYNYL-5-METHYL-
- 165047-95-0
-
- Inchi： 1S/C11H8/c1-4-10-6-9(3)7-11(5-2)8-10/h1-2,6-8H,3H3
- InChI Key： TYNKSNSSWJVOBT-UHFFFAOYSA-N
- SMILES： C1(C)C=C(C#C)C=C(C#C)C=1
Computed Properties
- Exact Mass: 140.06264
- Monoisotopic Mass: 140.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 195
- 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
- Topological Polar Surface Area: 0A^2
- XLogP3: 2.8
Experimental Properties
- PSA: 0
Benzene,1,3-diethynyl-5-methyl- Related Literature
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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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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
165047-95-0 (Benzene,1,3-diethynyl-5-methyl-) Related Products
- 766-97-2(4-Ethynyltoluene)
- 935-14-8(1,4-Diethynylbenzene)
- 25837-47-2(Phenylacetylene-d6)
- 7567-63-7(1,3,5-Triethynylbenzene)
- 3240-11-7(Ethynyl-2-d-benzene)
- 766-82-5(3-Ethynyltoluene)
- 1785-61-1(1,3-Diethynylbenzene)
- 25837-46-1(Phenyl-d5-acetylene)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
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