Cas no 114300-89-9 (1,4-Cyclohexadiene,1,4-bis(1-methylethyl)-)
114300-89-9 structure
Product Name:1,4-Cyclohexadiene,1,4-bis(1-methylethyl)-
CAS No:114300-89-9
MF:C12H20
MW:164.287203788757
CID:106234
PubChem ID:4589183
Update Time:2025-04-18
1,4-Cyclohexadiene,1,4-bis(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Cyclohexadiene,1,4-bis(1-methylethyl)-
- 1,4-Cyclohexadiene,1,4-bis(1-methylethyl)-(9CI)
- 1,4-Diisopropyl-1,4-cyclohexadiene
- 1,4-di(propan-2-yl)cyclohexa-1,4-diene
- 114300-89-9
-
- Inchi： 1S/C12H20/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5,8-10H,6-7H2,1-4H3
- InChI Key： PHQGCMVBXNSXJE-UHFFFAOYSA-N
- SMILES： C1(=CCC(=CC1)C(C)C)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
- LogP: 3.94500
1,4-Cyclohexadiene,1,4-bis(1-methylethyl)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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