Cas no 5224-65-7 (Phenol, 4-(2,2-dimethyl-1-methylenepropyl)-)
5224-65-7 structure
Product Name:Phenol, 4-(2,2-dimethyl-1-methylenepropyl)-
CAS No:5224-65-7
MF:C12H16O
MW:176.254843711853
CID:360105
PubChem ID:15621359
Update Time:2025-04-19
Phenol, 4-(2,2-dimethyl-1-methylenepropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 4-(2,2-dimethyl-1-methylenepropyl)-
- 4-(3,3-dimethylbut-1-en-2-yl)phenol
- DTXSID10575931
- 5224-65-7
-
- Inchi： 1S/C12H16O/c1-9(12(2,3)4)10-5-7-11(13)8-6-10/h5-8,13H,1H2,2-4H3
- InChI Key： CPIBNMCUVJVKDY-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1)C(=C)C(C)(C)C
Computed Properties
- Exact Mass: 176.12018
- Monoisotopic Mass: 176.120115130g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- 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: 4.3
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- PSA: 20.23
Phenol, 4-(2,2-dimethyl-1-methylenepropyl)- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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