Cas no 22008-47-5 (Hexadecanoic acid,3,7,11,15-tetramethyl-2-oxo-)
22008-47-5 structure
Product Name:Hexadecanoic acid,3,7,11,15-tetramethyl-2-oxo-
CAS No:22008-47-5
MF:C20H38O3
MW:326.51392698288
CID:250384
PubChem ID:3082203
Update Time:2025-04-19
Hexadecanoic acid,3,7,11,15-tetramethyl-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Hexadecanoic acid,3,7,11,15-tetramethyl-2-oxo-
- 3,7,11,15-tetramethyl-2-oxohexadecanoic acid
- 2-Oxophytanate
- DTXSID60944613
- LMPR0104010016
- 22008-47-5
- SCHEMBL924903
- Hexadecanoic acid, 3,7,11,15-tetramethyl-2-oxo-
- 2-Oxophytanic acid
- Q27102865
- CHEBI:18168
-
- Inchi： 1S/C20H38O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-18H,6-14H2,1-5H3,(H,22,23)
- InChI Key： CQJGVSCAFSXDSB-UHFFFAOYSA-N
- SMILES： O=C(C(=O)O)C(C)CCCC(C)CCCC(C)CCCC(C)C
Computed Properties
- Exact Mass: 326.282
- Monoisotopic Mass: 326.282
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 14
- Complexity: 336
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 7.8
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 0.927g/cm3
- Boiling Point: 411.1oC at 760 mmHg
- Flash Point: 216.6oC
- Refractive Index: 1.458
- LogP: 5.71530
Hexadecanoic acid,3,7,11,15-tetramethyl-2-oxo- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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