Cas no 13834-80-5 (Ethanone, 1-(2,4,6,6-tetramethyl-1,3-cyclohexadien-1-yl)-)
13834-80-5 structure
Product Name:Ethanone, 1-(2,4,6,6-tetramethyl-1,3-cyclohexadien-1-yl)-
CAS No:13834-80-5
MF:C12H18O
MW:178.270723819733
CID:96665
PubChem ID:67848482
Update Time:2025-04-18
Ethanone, 1-(2,4,6,6-tetramethyl-1,3-cyclohexadien-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(2,4,6,6-tetramethyl-1,3-cyclohexadien-1-yl)-
- 1-(2,4,6,6-tetramethylcyclohexa-1,3-dien-1-yl)ethanone
- 1-(2,4,6,6-Tetramethylcyclohexa-1,3-dien-1-yl)ethan-1-one
- SCHEMBL9420891
- 13834-80-5
- DTXSID00737703
-
- Inchi： 1S/C12H18O/c1-8-6-9(2)11(10(3)13)12(4,5)7-8/h6H,7H2,1-5H3
- InChI Key： RRAGEKYZYOIPDO-UHFFFAOYSA-N
- SMILES： O=C(C)C1=C(C)C=C(C)CC1(C)C
Computed Properties
- Exact Mass: 178.13584
- Monoisotopic Mass: 178.135765193g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 303
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07
Ethanone, 1-(2,4,6,6-tetramethyl-1,3-cyclohexadien-1-yl)- Related Literature
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
-
Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
13834-80-5 (Ethanone, 1-(2,4,6,6-tetramethyl-1,3-cyclohexadien-1-yl)-) Related Products
- 514-78-3(canthaxanthin)
- 23726-93-4(1-(2,6,6-Trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one)
- 13215-88-8(4-(But-2-en-1-ylidene)-3,5,5-trimethylcyclohex-2-enone)
- 3383-21-9(3,5-Di-tert-butyl-o-benzoquinone)
- 2607-52-5(2,6-Di-tert-butyl-p-quinomethaneDISCONTINUED)
- 432-68-8(Echinenone (Technical Grade))
- 116-26-7(SAFRANAL)
- 23696-85-7(Damascenone)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
Recommended suppliers
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Wuhan Comings Biotechnology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
