Cas no 62088-33-9 (1,3-Cyclohexadiene, 1,4-bis(1-methylethyl)-)
62088-33-9 structure
Product Name:1,3-Cyclohexadiene, 1,4-bis(1-methylethyl)-
CAS No:62088-33-9
MF:C12H20
MW:164.287203788757
CID:458670
PubChem ID:20872557
Update Time:2025-04-19
1,3-Cyclohexadiene, 1,4-bis(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexadiene, 1,4-bis(1-methylethyl)-
- 1,4-di(propan-2-yl)cyclohexa-1,3-diene
- 62088-33-9
- DTXSID10610093
-
- Inchi： 1S/C12H20/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5,7,9-10H,6,8H2,1-4H3
- InChI Key： PQMYPFWGYZXWEV-UHFFFAOYSA-N
- SMILES： C1C(=CC=C(C(C)C)C1)C(C)C
Computed Properties
- Exact Mass: 164.1566
- Monoisotopic Mass: 164.156500638g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 180
- 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: 3.5
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
1,3-Cyclohexadiene, 1,4-bis(1-methylethyl)- Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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