Cas no 42232-28-0 (Hexadecanoic acid,undecyl ester)
42232-28-0 structure
Product Name:Hexadecanoic acid,undecyl ester
CAS No:42232-28-0
MF:C27H54O2
MW:410.716469287872
CID:333300
PubChem ID:289806
Update Time:2025-04-19
Hexadecanoic acid,undecyl ester Chemical and Physical Properties
Names and Identifiers
-
- Hexadecanoic acid,undecyl ester
- undecyl hexadecanoate
- AC1L6CIS
- AC1Q67BK
- AG-K-44976
- AR-1J1659
- CTK4I5893
- NSC152079
- Palmitinsaeure-n-undecylester
- Palmitinsaeureundecylester
- SCHEMBL3396401
- DTXSID30302605
- 42232-28-0
- NSC-152079
-
- Inchi： 1S/C27H54O2/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27(28)29-26-24-22-20-18-12-10-8-6-4-2/h3-26H2,1-2H3
- InChI Key： NCSMRDAYUUPTTK-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCCCCCCCCC)=O)CCCCCCCCCCC
Computed Properties
- Exact Mass: 410.41262
- Monoisotopic Mass: 410.412380961g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 29
- Rotatable Bond Count: 25
- Complexity: 314
- 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: 12.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
- LogP: 9.54170
Hexadecanoic acid,undecyl ester Related Literature
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
42232-28-0 (Hexadecanoic acid,undecyl ester) Related Products
- 106-79-6(Dimethyl sebacate)
- 106-32-1(Ethyl n-Caprylate)
- 105-79-3(isobutyl caproate)
- 106-02-5(ω-Pentadecalactone)
- 106-30-9(Ethyl Heptanoate(Heptanoic Acid Ethyl Ester))
- 106-33-2(Ethyl Laurate(Ethyl Dodecanoate))
- 105-95-3(1,4-Dioxacycloheptadecane-5,17-dione)
- 109-43-3(dibutyl sebacate)
- 108-55-4(oxane-2,6-dione)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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