Cas no 5435-95-0 (1,2-Cyclohexanedione,3,5-bis(1-methylpropyl)-)
5435-95-0 structure
Product Name:1,2-Cyclohexanedione,3,5-bis(1-methylpropyl)-
CAS No:5435-95-0
MF:C14H24O2
MW:224.339164733887
CID:380630
PubChem ID:228447
Update Time:2025-04-19
1,2-Cyclohexanedione,3,5-bis(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclohexanedione,3,5-bis(1-methylpropyl)-
- 3,5-bis(2-methylpropyl)cyclohexane-1,2-dione
- AC1Q6DCN
- AG-J-56254
- AR-1E9433
- CTK5A0627
- NSC21384
- NSC-21384
- DTXSID00281357
- 5435-95-0
-
- Inchi： 1S/C14H24O2/c1-9(2)5-11-7-12(6-10(3)4)14(16)13(15)8-11/h9-12H,5-8H2,1-4H3
- InChI Key： YCICYKYPPBIUMJ-UHFFFAOYSA-N
- SMILES： O=C1C(CC(CC(C)C)CC1CC(C)C)=O
Computed Properties
- Exact Mass: 224.17772
- Monoisotopic Mass: 224.178
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 266
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.4
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- Density: 0.929
- Boiling Point: 307.1°C at 760 mmHg
- Flash Point: 122.8°C
- Refractive Index: 1.451
- PSA: 34.14
- LogP: 3.24300
1,2-Cyclohexanedione,3,5-bis(1-methylpropyl)- Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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