Cas no 127353-53-1 (Docosanoic acid, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenylester)
127353-53-1 structure
Product Name:Docosanoic acid, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenylester
CAS No:127353-53-1
MF:C42H82O2
MW:619.099294185638
CID:1221666
Update Time:2024-08-04
Docosanoic acid, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenylester Chemical and Physical Properties
Names and Identifiers
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- Docosanoic acid, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenylester
- Docosanoic acid, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecen-1-yl ester
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- Inchi： 1S/C42H82O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35-42(43)44-37-36-41(6)34-28-33-40(5)32-27-31-39(4)30-26-29-38(2)3/h36,38-40H,7-35,37H2,1-6H3/b41-36+/t39-,40-/m1/s1
- InChI Key： XXKYPSUJCPZTKV-GLBDFORISA-N
- SMILES： C(C)(C)CCC[C@@H](C)CCC[C@@H](C)CCC/C(/C)=C/COC(CCCCCCCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 618.63186
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 44
- XLogP3: 20.753
Experimental Properties
- Density: 0.860±0.06 g/cm3(Predicted)
- Boiling Point: 646.3±24.0 °C(Predicted)
- PSA: 26.3
Docosanoic acid, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenylester Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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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
127353-53-1 (Docosanoic acid, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenylester) Related Products
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