Cas no 4370-61-0 (2,5-Cyclohexadiene-1,4-dione,2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethyl-2,6,10,14,18-eicosapentaen-1-yl]-)
4370-61-0 structure
Product Name:2,5-Cyclohexadiene-1,4-dione,2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethyl-2,6,10,14,18-eicosapentaen-1-yl]-
CAS No:4370-61-0
MF:C34H50O4
MW:522.758410930634
CID:331527
PubChem ID:12832984
Update Time:2025-04-19
2,5-Cyclohexadiene-1,4-dione,2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethyl-2,6,10,14,18-eicosapentaen-1-yl]- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Cyclohexadiene-1,4-dione,2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethyl-2,6,10,14,18-eicosapentaen-1-yl]-
- 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaenyl]cyclohexa-2,5-diene-1,4-dione
- coenzyme Q5
- 2,5-Cyclo<wbr>
- LogP
- 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE
- 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-yl]-1,4-benzoquinone
- 2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethylicosa-2,6,10,14,18-pentaen-1-yl]cyclohexa-2,5-diene-1,4-dione
- CHEBI:46331
- ubiquinone 25
- Q27104564
- 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-6-(3,7,11,15,19-pentamethyl-2,6,10,14,18-eicosapentaenyl)-, (all-E)-
- 2,3-dimethoxy-5-methyl-6-pentaprenyl-1,4-benzoquinone
- CoQ5
- 4370-61-0
- (all-E)-2,3-dimethoxy-5-methyl-6-(3,7,11,15,19-pentamethyl-2,6,10,14,18-eicosapentaenyl)-2,5-cyclohexadiene-1,4-dione
-
- Inchi: 1S/C34H50O4/c1-24(2)14-10-15-25(3)16-11-17-26(4)18-12-19-27(5)20-13-21-28(6)22-23-30-29(7)31(35)33(37-8)34(38-9)32(30)36/h14,16,18,20,22H,10-13,15,17,19,21,23H2,1-9H3/b25-16+,26-18+,27-20+,28-22+
- InChI Key: NYFAQDMDAFCWPU-UVCHAVPFSA-N
- SMILES: O(C)C1=C(C(C(C)=C(C1=O)C/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)=O)OC
Computed Properties
- Exact Mass: 522.3711
- Monoisotopic Mass: 522.37091
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 38
- Rotatable Bond Count: 16
- Complexity: 1050
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 4
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 57
- XLogP3: 10.1
- Topological Polar Surface Area: 52.6
Experimental Properties
- Density: 1
- Boiling Point: 637.9°Cat760mmHg
- Flash Point: 262°C
- Refractive Index: 1.518
- PSA: 52.6
2,5-Cyclohexadiene-1,4-dione,2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethyl-2,6,10,14,18-eicosapentaen-1-yl]- Related Literature
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
4370-61-0 (2,5-Cyclohexadiene-1,4-dione,2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14E)-3,7,11,15,19-pentamethyl-2,6,10,14,18-eicosapentaen-1-yl]-) Related Products
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