Cas no 644-61-1 (2,5-Cyclohexadien-1-one,2,2'-methylenebis[3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-)
644-61-1 structure
Product Name:2,5-Cyclohexadien-1-one,2,2'-methylenebis[3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-
CAS No:644-61-1
MF:C25H32O8
MW:460.516788482666
CID:516300
Update Time:2025-04-19
2,5-Cyclohexadien-1-one,2,2'-methylenebis[3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-butanoyl-4-[(5-butanoyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
- AC1L28GM
- ALBASPIDIN
- Albaspidin BB
- LS-16230
- NSC112919
- NSC-112919
- Oprea1_167830
- Polystichalbin
- SureCN4962391
- 2,5-Cyclohexadien-1-one,2,2'-methylenebis[3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-
-
- Inchi： 1S/C25H32O8/c1-7-9-14(26)16-18(28)12(20(30)24(3,4)22(16)32)11-13-19(29)17(15(27)10-8-2)23(33)25(5,6)21(13)31/h30-33H,7-11H2,1-6H3
- InChI Key： BTEFKZZSPZYUSO-UHFFFAOYSA-N
- SMILES： CCCC(C1C(=O)C(CC2C(=O)C(C(CCC)=O)=C(O)C(C)(C)C=2O)=C(O)C(C)(C)C=1O)=O
Computed Properties
- Exact Mass: 460.20976
- Monoisotopic Mass: 460.209718
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 33
- Rotatable Bond Count: 8
- Complexity: 976
- 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: 149
Experimental Properties
- Density: 1.315
- Boiling Point: 766.1°Cat760mmHg
- Flash Point: 431°C
- PSA: 149.2
- LogP: 4.58110
2,5-Cyclohexadien-1-one,2,2'-methylenebis[3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)- Related Literature
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
644-61-1 (2,5-Cyclohexadien-1-one,2,2'-methylenebis[3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-) Related Products
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