Cas no 72117-72-7 (1-Penten-3-one,2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-)
72117-72-7 structure
Product Name:1-Penten-3-one,2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
CAS No:72117-72-7
MF:C15H24O
MW:220.350464820862
CID:563526
PubChem ID:166222
Update Time:2025-04-19
1-Penten-3-one,2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Penten-3-one,2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
- (E)-2-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)pent-1-en-3-one
- DIMETHYLIONONE
- 72117-72-7
- DTXSID90888071
- 1-Penten-3-one, 2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
-
- Inchi： 1S/C15H24O/c1-6-14(16)12(3)10-13-11(2)8-7-9-15(13,4)5/h8,10,13H,6-7,9H2,1-5H3
- InChI Key： UNAJREJGSQDJGU-UHFFFAOYSA-N
- SMILES： O=C(CC)C(C)=CC1C(C)=CCCC1(C)C
Computed Properties
- Exact Mass: 220.18282
- 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: 1
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 12
- XLogP3: 3.8
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 0.9275 (rough estimate)
- Boiling Point: 321.3°C (rough estimate)
- Flash Point: 131.7°C
- Refractive Index: 1.4637 (estimate)
- PSA: 17.07
1-Penten-3-one,2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
72117-72-7 (1-Penten-3-one,2-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-) Related Products
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