Cas no 644985-91-1 (Benzene, [(1E)-4-ethyl-1-hexenyl]-)
![Benzene, [(1E)-4-ethyl-1-hexenyl]- structure](https://ossimg.kuujia.com/scimg/645000/644985-91-1x500.png)
644985-91-1 structure
Product Name:Benzene, [(1E)-4-ethyl-1-hexenyl]-
CAS No:644985-91-1
MF:C14H20
MW:188.308604240417
CID:423422
PubChem ID:54037989
Update Time:2025-04-19
Benzene, [(1E)-4-ethyl-1-hexenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, [(1E)-4-ethyl-1-hexenyl]-
- 4-ethylhex-1-enylbenzene
- (4-ETHYLHEX-1-EN-1-YL)BENZENE
- 644985-91-1
- DTXSID50708584
-
- Inchi： 1S/C14H20/c1-3-13(4-2)11-8-12-14-9-6-5-7-10-14/h5-10,12-13H,3-4,11H2,1-2H3
- InChI Key： LKIDMSJSJYRLBT-UHFFFAOYSA-N
- SMILES： C(CC=CC1C=CC=CC=1)(CC)CC
Computed Properties
- Exact Mass: 188.1566
- Monoisotopic Mass: 188.156500638g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 147
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 5.2
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Benzene, [(1E)-4-ethyl-1-hexenyl]- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
644985-91-1 (Benzene, [(1E)-4-ethyl-1-hexenyl]-) Related Products
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