Cas no 1919-64-8 (1,3-Cyclohexanedione, 5,5-dimethyl-2-propyl-)
1919-64-8 structure
Product Name:1,3-Cyclohexanedione, 5,5-dimethyl-2-propyl-
CAS No:1919-64-8
MF:C11H18O2
MW:182.259423732758
CID:1385455
PubChem ID:557919
Update Time:2025-04-20
1,3-Cyclohexanedione, 5,5-dimethyl-2-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Cyclohexanedione, 5,5-dimethyl-2-propyl-
- 2-Propyl-5,5-dimethylcyclohexane-1,3-dione
- 5,5-dimethyl-2-propylcyclohexane-1,3-dione
- 5,5-Dimethyl-2-propyl-1,3-cyclohexanedione
- 1919-64-8
- Q63409302
- DTXSID00339701
- 5,5-Dimethyl-2-propyl-1,3-cyclohexanedione #
- 2-PROPYL-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE
- 5,5-dimethyl-2-propylcyclohexan-1,3-dione
- KLQDATMPJJSEHG-UHFFFAOYSA-N
-
- Inchi： 1S/C11H18O2/c1-4-5-8-9(12)6-11(2,3)7-10(8)13/h8H,4-7H2,1-3H3
- InChI Key： KLQDATMPJJSEHG-UHFFFAOYSA-N
- SMILES： O=C1C(CCC)C(CC(C)(C)C1)=O
Computed Properties
- Exact Mass: 182.13074
- Monoisotopic Mass: 182.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 208
- 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: 2.3
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,3-Cyclohexanedione, 5,5-dimethyl-2-propyl- Related Literature
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
1919-64-8 (1,3-Cyclohexanedione, 5,5-dimethyl-2-propyl-) Related Products
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