Cas no 119987-63-2 (Cyclohexanone, 3-butyl-4-(1-methylethyl)-)
119987-63-2 structure
Product Name:Cyclohexanone, 3-butyl-4-(1-methylethyl)-
CAS No:119987-63-2
MF:C13H24O
MW:196.329064369202
CID:1212295
PubChem ID:14007127
Update Time:2025-04-20
Cyclohexanone, 3-butyl-4-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanone, 3-butyl-4-(1-methylethyl)-
- 3-butyl-4-propan-2-ylcyclohexan-1-one
- 119987-63-2
- 3-Butyl-4-(propan-2-yl)cyclohexan-1-one
- DTXSID60554175
-
- Inchi： 1S/C13H24O/c1-4-5-6-11-9-12(14)7-8-13(11)10(2)3/h10-11,13H,4-9H2,1-3H3
- InChI Key： DVOVOIQPKZRTFP-UHFFFAOYSA-N
- SMILES： O=C1CCC(C(C)C)C(CCCC)C1
Computed Properties
- Exact Mass: 196.18282
- Monoisotopic Mass: 196.182715385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- 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: 4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Cyclohexanone, 3-butyl-4-(1-methylethyl)- Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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L. Di Michele,D. Fiocco,F. Varrato,E. Eiser,G. Foffi Soft Matter, 2014,10, 3633-3648
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Szilvia Nagy,János Pipek Phys. Chem. Chem. Phys., 2015,17, 31558-31565
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
119987-63-2 (Cyclohexanone, 3-butyl-4-(1-methylethyl)-) Related Products
- 823-76-7(1-cyclohexylethan-1-one)
- 5441-51-0(4-ethylcyclohexan-1-one)
- 10458-14-7(Menthone)
- 2979-19-3(3,3-dimethylcyclohexan-1-one)
- 61203-83-6(4-Pentylcyclohexanone)
- 700-58-3(Adamantanone)
- 82832-73-3(4-(trans-4'-Propylcyclohexyl)cyclohexan-1-one)
- 583-60-8(2-Methylcyclohexanone)
- 98-53-3(4-tert-butylcyclohexan-1-one)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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