Cas no 827299-47-8 (Benzenepropanol, a,b,b,2,5-pentamethyl-)
827299-47-8 structure
Product Name:Benzenepropanol, a,b,b,2,5-pentamethyl-
CAS No:827299-47-8
MF:C14H22O
MW:206.323884487152
CID:715953
PubChem ID:57353799
Update Time:2025-04-19
Benzenepropanol, a,b,b,2,5-pentamethyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanol, a,b,b,2,5-pentamethyl-
- 4-(2,5-dimethylphenyl)-3,3-dimethylbutan-2-ol
- Benzenepropanol, alpha,ba,ba,2,5-pentamethyl- (9CI)
- DTXSID90722608
- 827299-47-8
- SCHEMBL113448
-
- Inchi： 1S/C14H22O/c1-10-6-7-11(2)13(8-10)9-14(4,5)12(3)15/h6-8,12,15H,9H2,1-5H3
- InChI Key： ZHAATQWUNXGHRF-UHFFFAOYSA-N
- SMILES： OC(C)C(C)(C)CC1C=C(C)C=CC=1C
Computed Properties
- Exact Mass: 206.167065321g/mol
- Monoisotopic Mass: 206.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 198
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 20.2?2
Benzenepropanol, a,b,b,2,5-pentamethyl- Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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