Cas no 81427-76-1 (2,2-Bis(2-methylpropoxy)-1-phenylethan-1-one)
81427-76-1 structure
Product Name:2,2-Bis(2-methylpropoxy)-1-phenylethan-1-one
CAS No:81427-76-1
MF:C16H24O3
MW:264.359965324402
CID:2803055
PubChem ID:13678627
Update Time:2025-04-21
2,2-Bis(2-methylpropoxy)-1-phenylethan-1-one Chemical and Physical Properties
Names and Identifiers
-
- DTXSID60546515
- SCHEMBL11294434
- 81427-76-1
- 2,2-Bis(2-methylpropoxy)-1-phenylethan-1-one
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- Inchi： 1S/C16H24O3/c1-12(2)10-18-16(19-11-13(3)4)15(17)14-8-6-5-7-9-14/h5-9,12-13,16H,10-11H2,1-4H3
- InChI Key： MYSHGHMCHQBAHA-UHFFFAOYSA-N
- SMILES： O(C(C(C1C=CC=CC=1)=O)OCC(C)C)CC(C)C
Computed Properties
- Exact Mass: 264.17254462Da
- Monoisotopic Mass: 264.17254462Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 243
- 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: 4.1
- Topological Polar Surface Area: 35.5?2
2,2-Bis(2-methylpropoxy)-1-phenylethan-1-one Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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