Cas no 2654-76-4 (2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-methyl-6-nonadecyl-)
2654-76-4 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-methyl-6-nonadecyl-
CAS No:2654-76-4
MF:C26H44O4
MW:420.625168800354
CID:258028
PubChem ID:165008
Update Time:2025-04-19
2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-methyl-6-nonadecyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-methyl-6-nonadecyl-
- 2,5-dihydroxy-3-methyl-6-nonadecylcyclohexa-2,5-diene-1,4-dione
- 2,5-Dihydroxy-3-methyl-6-nonadecyl-1,4-benzoquinone
- 2654-76-4
- 2,5-Dihydroxy-3-methyl-6-nonadecyl-[1,4]benzoquinone
- DTXSID70181113
- 2,5-Cyclohexadiene-1,4-dione, 2,5-dihydroxy-3-methyl-6-nonadecyl-
-
- MDL： MFCD00210497
- Inchi： 1S/C26H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-25(29)23(27)21(2)24(28)26(22)30/h27,30H,3-20H2,1-2H3
- InChI Key： QOXSUQVHFNZZRI-UHFFFAOYSA-N
- SMILES： OC1C(C(C)=C(C(C=1CCCCCCCCCCCCCCCCCCC)=O)O)=O
Computed Properties
- Exact Mass: 420.32412
- Monoisotopic Mass: 420.324
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 30
- Rotatable Bond Count: 18
- Complexity: 586
- 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: 10.1
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- Density: 1.025
- Boiling Point: 537.9°C at 760 mmHg
- Flash Point: 293.2°C
- Refractive Index: 1.512
- PSA: 74.6
2,5-Cyclohexadiene-1,4-dione,2,5-dihydroxy-3-methyl-6-nonadecyl- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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