Cas no 7712-37-0 (Cyclohexanone, 5-(1-hydroxy-1-methylethyl)-2-methyl-)
7712-37-0 structure
Product Name:Cyclohexanone, 5-(1-hydroxy-1-methylethyl)-2-methyl-
CAS No:7712-37-0
MF:C10H18O2
MW:170.248723506927
CID:536745
PubChem ID:12655016
Update Time:2025-04-19
Cyclohexanone, 5-(1-hydroxy-1-methylethyl)-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 5-(1-hydroxy-1-methylethyl)-2-methyl-
- 5-(2-hydroxypropan-2-yl)-2-methylcyclohexan-1-one
- DTXSID50505853
- 7712-37-0
- SCHEMBL10593768
- 5-(1-hydroxy-1-methylethyl)-2-methylcyclohexanone
- AKOS015907428
-
- Inchi： 1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h7-8,12H,4-6H2,1-3H3
- InChI Key： WZUYMVXZZRCRMY-UHFFFAOYSA-N
- SMILES： OC(C)(C)C1CC(C(C)CC1)=O
Computed Properties
- Exact Mass: 170.13074
- Monoisotopic Mass: 170.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 184
- 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: 1.2
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- PSA: 37.3
Cyclohexanone, 5-(1-hydroxy-1-methylethyl)-2-methyl- Related Literature
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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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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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