Cas no 70092-23-8 (1-Hexen-3-one,5-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-)
70092-23-8 structure
Product Name:1-Hexen-3-one,5-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
CAS No:70092-23-8
MF:C16H26O
MW:234.377045154572
CID:564796
PubChem ID:112190
Update Time:2025-04-19
1-Hexen-3-one,5-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Hexen-3-one,5-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
- ISOBUTYL IONONE
- 5-Methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-1-hexen-3-one
- 5-methyl-1-(2,6,6-trimethylcyclohex-2-en-1-yl)hex-1-en-3-one
- FT-0772453
- 70092-23-8
- 1-Hexen-3-one, 5-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-
- DTXSID40887690
- NS00062929
-
- Inchi： 1S/C16H26O/c1-12(2)11-14(17)8-9-15-13(3)7-6-10-16(15,4)5/h7-9,12,15H,6,10-11H2,1-5H3
- InChI Key： QLDFUXZWCMSFEO-UHFFFAOYSA-N
- SMILES： O=C(CC(C)C)C=CC1C(C)=CCCC1(C)C
Computed Properties
- Exact Mass: 234.19800
- 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: 4
- 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
Experimental Properties
- PSA: 17.07000
- LogP: 4.54030
1-Hexen-3-one,5-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
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
70092-23-8 (1-Hexen-3-one,5-methyl-1-(2,6,6-trimethyl-2-cyclohexen-1-yl)-) Related Products
- 2244-16-8((S)-(+)-Carvone)
- 719-22-2(2,6-di-tert-butylcyclohexa-2,5-diene-1,4-dione)
- 32388-55-9(Acetylcedrene (~80%))
- 3602-55-9(2-tert-Butyl-1,4-benzoquinone)
- 78-59-1(Isophorone)
- 6485-40-1((R)-(-)-Carvone)
- 473-08-5((+)-a-Cyperone)
- 2460-77-7(2,5-Di-tert-butyl-1,4-benzoquinone)
- 601-57-0(Δ4-Cholesten-3-one)
- 4674-50-4(Nootkatone)
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