Cas no 67796-66-1 (2-Buten-1-one, 1-(2-ethyl-3,6,6-trimethyl-1-cyclohexen-1-yl)-)
67796-66-1 structure
Product Name:2-Buten-1-one, 1-(2-ethyl-3,6,6-trimethyl-1-cyclohexen-1-yl)-
CAS No:67796-66-1
MF:C15H24O
MW:220.350464820862
CID:387671
PubChem ID:54075873
Update Time:2025-04-19
2-Buten-1-one, 1-(2-ethyl-3,6,6-trimethyl-1-cyclohexen-1-yl)- Chemical and Physical Properties
Names and Identifiers
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- 2-Buten-1-one, 1-(2-ethyl-3,6,6-trimethyl-1-cyclohexen-1-yl)-
- 1-(2-ethyl-3,6,6-trimethylcyclohexen-1-yl)but-2-en-1-one
- 67796-66-1
- 1-(2-Ethyl-3,6,6-trimethylcyclohex-1-en-1-yl)but-2-en-1-one
- DTXSID40708856
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- Inchi： 1S/C15H24O/c1-6-8-13(16)14-12(7-2)11(3)9-10-15(14,4)5/h6,8,11H,7,9-10H2,1-5H3
- InChI Key： MJQBDDVFYFETNQ-UHFFFAOYSA-N
- SMILES： O=C(C=CC)C1=C(CC)C(C)CCC1(C)C
Computed Properties
- Exact Mass: 220.182715385g/mol
- Monoisotopic Mass: 220.182715385g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 331
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 4.2
- Topological Polar Surface Area: 17.1?2
2-Buten-1-one, 1-(2-ethyl-3,6,6-trimethyl-1-cyclohexen-1-yl)- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
67796-66-1 (2-Buten-1-one, 1-(2-ethyl-3,6,6-trimethyl-1-cyclohexen-1-yl)-) Related Products
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