Cas no 61285-85-6 (1-Butanone, 1-cyclohexyl-3-cyclohexylidene-)
61285-85-6 structure
Product Name:1-Butanone, 1-cyclohexyl-3-cyclohexylidene-
CAS No:61285-85-6
MF:C16H26O
MW:234.377045154572
CID:485807
PubChem ID:54470783
Update Time:2025-04-19
1-Butanone, 1-cyclohexyl-3-cyclohexylidene- Chemical and Physical Properties
Names and Identifiers
-
- 1-Butanone, 1-cyclohexyl-3-cyclohexylidene-
- 1-cyclohexyl-3-cyclohexylidenebutan-1-one
- 61285-85-6
- DTXSID60711564
-
- Inchi： 1S/C16H26O/c1-13(14-8-4-2-5-9-14)12-16(17)15-10-6-3-7-11-15/h15H,2-12H2,1H3
- InChI Key： XIFABEHVABCNEQ-UHFFFAOYSA-N
- SMILES： O=C(C/C(/C)=C1\CCCCC\1)C1CCCCC1
Computed Properties
- Exact Mass: 234.19848
- Monoisotopic Mass: 234.198365449g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 287
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
1-Butanone, 1-cyclohexyl-3-cyclohexylidene- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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