Cas no 2497333-07-8 (Benzenepropanol, 4-(1,1-dimethylpropyl)-β-methyl-)
2497333-07-8 structure
Product Name:Benzenepropanol, 4-(1,1-dimethylpropyl)-β-methyl-
CAS No:2497333-07-8
MF:C15H24O
MW:220.350464820862
CID:5109157
PubChem ID:20340528
Update Time:2024-03-01
Benzenepropanol, 4-(1,1-dimethylpropyl)-β-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanol, 4-(1,1-dimethylpropyl)-β-methyl-
- 3-(4-tert-amylphenyl)-2-methyl propanol
-
- Inchi: 1S/C15H24O/c1-5-15(3,4)14-8-6-13(7-9-14)10-12(2)11-16/h6-9,12,16H,5,10-11H2,1-4H3
- InChI Key: YGTZHUMRZRLTKX-UHFFFAOYSA-N
- SMILES: C(C1C=CC(C(C)(C)CC)=CC=1)C(C)CO
Computed Properties
- Exact Mass: 220.182715385g/mol
- Monoisotopic Mass: 220.182715385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 190
- 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: 4.5
- Topological Polar Surface Area: 20.2?2
Benzenepropanol, 4-(1,1-dimethylpropyl)-β-methyl- Related Literature
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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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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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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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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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