Cas no 72996-18-0 (Phytyl dodecanoate)
Phytyl dodecanoate structure
Product Name:Phytyl dodecanoate
CAS No:72996-18-0
MF:C32H62O2
MW:478.833490848541
CID:543154
Update Time:2024-03-01
Phytyl dodecanoate Chemical and Physical Properties
Names and Identifiers
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- Dodecanoic acid, (2E,7R,11R)-3,7,11,15-tetramethyl-2-hexadecenylester
- PGO7QS4V1I
- Phytyl dodecanoate
- phytyl laurate
- Dodecanoic acid, 3,7,11,15-tetramethyl-2-hexadecenyl ester
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- Inchi： 1S/C32H62O2/c1-7-8-9-10-11-12-13-14-15-25-32(33)34-27-26-31(6)24-18-23-30(5)22-17-21-29(4)20-16-19-28(2)3/h26,28-30H,7-25,27H2,1-6H3/b31-26+/t29-,30-/m1/s1
- InChI Key： AGWFXWWNJHQGIB-KONNFPMYSA-N
- SMILES： O(C(CCCCCCCCCCC)=O)C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 34
- Rotatable Bond Count: 25
- Complexity: 479
- Topological Polar Surface Area: 26.3
- XLogP3: 15.063
Phytyl dodecanoate Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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