Cas no 28293-18-7 (2,5-Cyclohexadiene-1,4-dione,2,5-dihexyl-3,6-dihydroxy-)
28293-18-7 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,2,5-dihexyl-3,6-dihydroxy-
CAS No:28293-18-7
MF:C18H28O4
MW:308.412526130676
CID:276721
PubChem ID:271295
Update Time:2025-04-19
2,5-Cyclohexadiene-1,4-dione,2,5-dihexyl-3,6-dihydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione,2,5-dihexyl-3,6-dihydroxy-
- 2,5-Dihexyl-3,6-dihydroxybenzo-1,4-quinone
- 2,5-dihexyl-3,6-dihydroxy-1,4-benzoquinone
- NSC114763
- UNII-HL3B0D7WEA
- 2,5-CYCLOHEXADIENE-1,4-DIONE, 2,5-DIHEXYL-3,6-DIHYDROXY-
- HL3B0D7WEA
- NSC-114763
- CHEMBL3263333
- DTXSID10182543
- 28293-18-7
- NSC 114763
-
- Inchi： 1S/C18H28O4/c1-3-5-7-9-11-13-15(19)17(21)14(18(22)16(13)20)12-10-8-6-4-2/h19,22H,3-12H2,1-2H3
- InChI Key： OHUQCPADVIGHFE-UHFFFAOYSA-N
- SMILES： OC1C(C(=C(C(C=1CCCCCC)=O)O)CCCCCC)=O
Computed Properties
- Exact Mass: 308.19884
- Monoisotopic Mass: 308.199
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 10
- Complexity: 428
- 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: 5.7
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- Density: 1.104
- Boiling Point: 441.4°Cat760mmHg
- Flash Point: 234.9°C
- Refractive Index: 1.528
- PSA: 74.6
- LogP: 4.70320
2,5-Cyclohexadiene-1,4-dione,2,5-dihexyl-3,6-dihydroxy- Related Literature
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Hailing Chen,Lu Yin,Meng Liu,Laibing Wang,Michiya Fujiki,Wei Zhang RSC Adv., 2019,9, 4849-4856
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