Cas no 10499-26-0 (4-Cyclohexene-1,3-dione,5-hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)-)
10499-26-0 structure
Product Name:4-Cyclohexene-1,3-dione,5-hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)-
CAS No:10499-26-0
MF:C19H22O4
MW:314.375586032867
CID:206884
PubChem ID:3014646
Update Time:2025-04-19
4-Cyclohexene-1,3-dione,5-hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Cyclohexene-1,3-dione,5-hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)-
- 5-hydroxy-2,2,6,6-tetramethyl-4-(3-phenylpropanoyl)cyclohex-4-ene-1,3-dione
- 5-Hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)-4-cyclohexene-1,3-dione
- DTXSID50146902
- LMPK12120595
- 4-Cyclohexene-1,3-dione, 5-hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)-
- CHEMBL3810189
- 10499-26-0
- CHEBI:137843
- Grandiflorone
-
- Inchi： 1S/C19H22O4/c1-18(2)15(21)14(16(22)19(3,4)17(18)23)13(20)11-10-12-8-6-5-7-9-12/h5-9,21H,10-11H2,1-4H3
- InChI Key： KUWGTESSHWPSOB-UHFFFAOYSA-N
- SMILES： O=C1C(C)(C)C(C(C(CCC2C=CC=CC=2)=O)=C(C1(C)C)O)=O
Computed Properties
- Exact Mass: 314.15186
- Monoisotopic Mass: 314.151809
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 560
- 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
- Topological Polar Surface Area: 71.4
- XLogP3: 3.7
Experimental Properties
- Density: 1.16
- Boiling Point: 481.1°Cat760mmHg
- Flash Point: 258.9°C
- Refractive Index: 1.548
- PSA: 71.44
- LogP: 3.20460
4-Cyclohexene-1,3-dione,5-hydroxy-2,2,6,6-tetramethyl-4-(1-oxo-3-phenylpropyl)- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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