Cas no 56569-76-7 (Cyclohexanone, 5-(1,1-dimethylethyl)-2-methyl-)
56569-76-7 structure
Product Name:Cyclohexanone, 5-(1,1-dimethylethyl)-2-methyl-
CAS No:56569-76-7
MF:C11H20O
MW:168.275903701782
CID:1599358
PubChem ID:12656790
Update Time:2025-04-21
Cyclohexanone, 5-(1,1-dimethylethyl)-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 5-(1,1-dimethylethyl)-2-methyl-
- 5-tert-butyl-2-methylcyclohexan-1-one
- DTXSID70505890
- AKOS015906630
- SCHEMBL9539936
- 56569-76-7
- 2-methyl-5-t-butylcyclohexanone
- 5-tert-butyl-2-methylcyclohexanone
-
- Inchi： 1S/C11H20O/c1-8-5-6-9(7-10(8)12)11(2,3)4/h8-9H,5-7H2,1-4H3
- InChI Key： WVVALRZXBLFRSJ-UHFFFAOYSA-N
- SMILES： O=C1C(C)CCC(C1)C(C)(C)C
Computed Properties
- Exact Mass: 168.1515
- Monoisotopic Mass: 168.151415257g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 176
- 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: 3.1
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Cyclohexanone, 5-(1,1-dimethylethyl)-2-methyl- Related Literature
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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