Cas no 5696-83-3 (Benzene, 1-methyl-3-(3-pentenyl)-)
5696-83-3 structure
Product Name:Benzene, 1-methyl-3-(3-pentenyl)-
CAS No:5696-83-3
MF:C12H16
MW:160.255443572998
CID:347199
PubChem ID:54406728
Update Time:2025-04-19
Benzene, 1-methyl-3-(3-pentenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-methyl-3-(3-pentenyl)-
- 1-methyl-3-pent-3-enylbenzene
- 1-Methyl-3-(pent-3-en-1-yl)benzene
- 5696-83-3
- DTXSID20711121
-
- Inchi： 1S/C12H16/c1-3-4-5-8-12-9-6-7-11(2)10-12/h3-4,6-7,9-10H,5,8H2,1-2H3
- InChI Key： VRFKBBOWFOYOEY-UHFFFAOYSA-N
- SMILES： C(CC=CC)C1C=CC=C(C)C=1
Computed Properties
- Exact Mass: 160.12528
- Monoisotopic Mass: 160.125
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 135
- 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
- Topological Polar Surface Area: 0A^2
- XLogP3: 3.9
Experimental Properties
- PSA: 0
Benzene, 1-methyl-3-(3-pentenyl)- Related Literature
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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