Cas no 57918-99-7 (2-Hexanone, 5-methyl-6-phenyl-)
57918-99-7 structure
Product Name:2-Hexanone, 5-methyl-6-phenyl-
CAS No:57918-99-7
MF:C13H18O
MW:190.281424045563
CID:343765
PubChem ID:12277039
Update Time:2025-04-19
2-Hexanone, 5-methyl-6-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Hexanone, 5-methyl-6-phenyl-
- 5-methyl-6-phenylhexan-2-one
- DTXSID00483733
- 57918-99-7
- SCHEMBL13235780
-
- Inchi： 1S/C13H18O/c1-11(8-9-12(2)14)10-13-6-4-3-5-7-13/h3-7,11H,8-10H2,1-2H3
- InChI Key： CWUGQOQIHCHWLQ-UHFFFAOYSA-N
- SMILES： O=C(C)CCC(C)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 190.13584
- Monoisotopic Mass: 190.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 168
- 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: 3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
2-Hexanone, 5-methyl-6-phenyl- Related Literature
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Patricia A. A. M. Vaz,Jo?o Rocha,Artur M. S. Silva New J. Chem., 2016,40, 8198-8201
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
57918-99-7 (2-Hexanone, 5-methyl-6-phenyl-) Related Products
- 2550-26-7(4-phenylbutan-2-one)
- 34993-51-6((R)-3-Phenyl-cyclohexanone)
- 4894-75-1(4-phenylcyclohexan-1-one)
- 3506-88-5(3-Benzyl-4-phenylbutan-2-one)
- 493-72-1(5-Phenylcyclohexane-1,3-dione)
- 2550-27-8(3-Methyl-4-phenylbutan-2-one)
- 29898-25-7(1-Phenyl-3-hexanone)
- 20795-51-1(1-Phenylpentan-3-one)
- 40463-09-0(4-Methyl-1-phenylpentan-3-one)
- 5349-62-2(4-Methyl-1-phenyl-2-pentanone)
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