Cas no 61786-28-5 (Cyclohexane, 1-butyl-2-ethynyl-)
61786-28-5 structure
Product Name:Cyclohexane, 1-butyl-2-ethynyl-
CAS No:61786-28-5
MF:C12H20
MW:164.287203788757
CID:466159
PubChem ID:71392167
Update Time:2025-04-19
Cyclohexane, 1-butyl-2-ethynyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexane, 1-butyl-2-ethynyl-
- 1-butyl-2-ethynylcyclohexane
- 61786-28-5
- DTXSID10813986
-
- Inchi： 1S/C12H20/c1-3-5-8-12-10-7-6-9-11(12)4-2/h2,11-12H,3,5-10H2,1H3
- InChI Key： UJHAEVJPVUZMMZ-UHFFFAOYSA-N
- SMILES： C1(CCCC)CCCCC1C#C
Computed Properties
- Exact Mass: 164.1566
- Monoisotopic Mass: 164.156500638g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 160
- 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: 5
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
Cyclohexane, 1-butyl-2-ethynyl- Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
61786-28-5 (Cyclohexane, 1-butyl-2-ethynyl-) Related Products
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