Cas no 56974-07-3 (4-Penten-1-one,1-(5,5-dimethyl-1-cyclohexen-1-yl)-3-methyl-)
56974-07-3 structure
Product Name:4-Penten-1-one,1-(5,5-dimethyl-1-cyclohexen-1-yl)-3-methyl-
4-Penten-1-one,1-(5,5-dimethyl-1-cyclohexen-1-yl)-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4-Penten-1-one,1-(5,5-dimethyl-1-cyclohexen-1-yl)-3-methyl-
- 1-(5,5-dimethyl-1-cyclohexen-1-yl)-3-methylpent-4-en-1-one
- 1-(5,5-dimethylcyclohex-1-en-1-yl)-3-methylpent-4-en-1-one
- DTXSID20972452
- 56974-07-3
- EINECS 260-490-9
- SCHEMBL11373284
- NS00053983
-
- Inchi： 1S/C14H22O/c1-5-11(2)9-13(15)12-7-6-8-14(3,4)10-12/h5,7,11H,1,6,8-10H2,2-4H3
- InChI Key： UUQUGOSCTSPPIO-UHFFFAOYSA-N
- SMILES： O=C(CC(C=C)C)C1=CCCC(C)(C)C1
Computed Properties
- Exact Mass: 206.16716
- Monoisotopic Mass: 206.167
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 284
- 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: 3.9
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.901
- Boiling Point: 281.2°Cat760mmHg
- Flash Point: 112.4°C
- Refractive Index: 1.471
- PSA: 17.07
4-Penten-1-one,1-(5,5-dimethyl-1-cyclohexen-1-yl)-3-methyl- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
56974-07-3 (4-Penten-1-one,1-(5,5-dimethyl-1-cyclohexen-1-yl)-3-methyl-) Related Products
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