Cas no 214552-91-7 (Benzene, 2-ethenyl-1,3-dihexyl-)
214552-91-7 structure
Product Name:Benzene, 2-ethenyl-1,3-dihexyl-
CAS No:214552-91-7
MF:C20H32
MW:272.468086242676
CID:1401217
PubChem ID:10588276
Update Time:2025-04-20
Benzene, 2-ethenyl-1,3-dihexyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 2-ethenyl-1,3-dihexyl-
- 2-ethenyl-1,3-dihexylbenzene
- 214552-91-7
- DTXSID20442201
-
- Inchi： 1S/C20H32/c1-4-7-9-11-14-18-16-13-17-19(20(18)6-3)15-12-10-8-5-2/h6,13,16-17H,3-5,7-12,14-15H2,1-2H3
- InChI Key： MBDPPFAYHMZYHT-UHFFFAOYSA-N
- SMILES： C(C1C=CC=C(C=1C=C)CCCCCC)CCCCC
Computed Properties
- Exact Mass: 272.25056
- Monoisotopic Mass: 272.250401021g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 20
- Rotatable Bond Count: 11
- Complexity: 210
- 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: 8.6
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, 2-ethenyl-1,3-dihexyl- Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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