Cas no 62705-59-3 (1-Propanone, 1-[3-(1,1-dimethylethyl)phenyl]-2,2-dimethyl-)
![1-Propanone, 1-[3-(1,1-dimethylethyl)phenyl]-2,2-dimethyl- structure](https://ossimg.kuujia.com/scimg/63000/62705-59-3x500.png)
62705-59-3 structure
Product Name:1-Propanone, 1-[3-(1,1-dimethylethyl)phenyl]-2,2-dimethyl-
CAS No:62705-59-3
MF:C15H22O
MW:218.334584712982
CID:434602
PubChem ID:22972491
Update Time:2025-04-19
1-Propanone, 1-[3-(1,1-dimethylethyl)phenyl]-2,2-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Propanone, 1-[3-(1,1-dimethylethyl)phenyl]-2,2-dimethyl-
- 1-(3-tert-butylphenyl)-2,2-dimethylpropan-1-one
- DTXSID30629268
- 1-(3-tert-Butyl-phenyl)-2,2-dimethyl-propan-1-one
- SCHEMBL10034519
- 62705-59-3
-
- Inchi： 1S/C15H22O/c1-14(2,3)12-9-7-8-11(10-12)13(16)15(4,5)6/h7-10H,1-6H3
- InChI Key： ZCLUZOFJDNRKHB-UHFFFAOYSA-N
- SMILES： O=C(C1=CC=CC(=C1)C(C)(C)C)C(C)(C)C
Computed Properties
- Exact Mass: 218.16716
- Monoisotopic Mass: 218.167065321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 252
- 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: 4.7
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1-Propanone, 1-[3-(1,1-dimethylethyl)phenyl]-2,2-dimethyl- Related Literature
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
62705-59-3 (1-Propanone, 1-[3-(1,1-dimethylethyl)phenyl]-2,2-dimethyl-) Related Products
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