Cas no 60048-69-3 (Ethanone, 1-(3-methyl-1-cyclohexen-1-yl)-)
60048-69-3 structure
Product Name:Ethanone, 1-(3-methyl-1-cyclohexen-1-yl)-
CAS No:60048-69-3
MF:C9H14O
MW:138.206862926483
CID:499405
PubChem ID:12567210
Update Time:2025-04-19
Ethanone, 1-(3-methyl-1-cyclohexen-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(3-methyl-1-cyclohexen-1-yl)-
- 1-(3-methylcyclohexen-1-yl)ethanone
-
- Inchi： 1S/C9H14O/c1-7-4-3-5-9(6-7)8(2)10/h6-7H,3-5H2,1-2H3
- InChI Key： KUAOSSRFCWYCMT-UHFFFAOYSA-N
- SMILES： O=C(C)C1=CC(C)CCC1
Computed Properties
- Exact Mass: 138.10452
- Monoisotopic Mass: 138.104465066g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- 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: 2.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Ethanone, 1-(3-methyl-1-cyclohexen-1-yl)- Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
60048-69-3 (Ethanone, 1-(3-methyl-1-cyclohexen-1-yl)-) Related Products
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