Cas no 112405-99-9 (4-ethyl-1-phenyloctane-1,3-dione)
112405-99-9 structure
Product Name:4-ethyl-1-phenyloctane-1,3-dione
CAS No:112405-99-9
MF:C16H22O2
MW:246.344685077667
CID:2608737
PubChem ID:11118350
Update Time:2025-04-21
4-ethyl-1-phenyloctane-1,3-dione Chemical and Physical Properties
Names and Identifiers
-
- 4-ethyl-1-phenyloctane-1,3-dione
- DTXSID10455880
- GGQOYCFZZZEZMA-UHFFFAOYSA-N
- SCHEMBL7526711
- 112405-99-9
- DTXCID50406699
- 1,3-Octanedione, 4-ethyl-1-phenyl-
- 4-Ethyl-1-phenyl-1,3-octadione
-
- Inchi： 1S/C16H22O2/c1-3-5-9-13(4-2)15(17)12-16(18)14-10-7-6-8-11-14/h6-8,10-11,13H,3-5,9,12H2,1-2H3
- InChI Key： GGQOYCFZZZEZMA-UHFFFAOYSA-N
- SMILES： O=C(CC(C1C=CC=CC=1)=O)C(CC)CCCC
Computed Properties
- Exact Mass: 246.161979940Da
- Monoisotopic Mass: 246.161979940Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 264
- 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: 4.3
- Topological Polar Surface Area: 34.1?2
4-ethyl-1-phenyloctane-1,3-dione Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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