Cas no 26761-50-2 (9-Octadecenoic acid(9Z)-, isooctyl ester)
26761-50-2 structure
Product Name:9-Octadecenoic acid(9Z)-, isooctyl ester
CAS No:26761-50-2
MF:C26H50O2
MW:394.674008846283
CID:268197
PubChem ID:117863
Update Time:2025-04-19
9-Octadecenoic acid(9Z)-, isooctyl ester Chemical and Physical Properties
Names and Identifiers
-
- 9-Octadecenoic acid(9Z)-, isooctyl ester
- 6-methylheptyl (9Z)-octadec-9-enoate
- 6-Methylheptyl 9-octadecenoate
- isooctyl oleate
- 6-methylheptyl octadec-9-enoate
- 9-Octadecenoic acid (9Z)-, isooctyl ester
- NS00020620
- 6-methylheptyl oleate
- 26761-50-2
- EINECS 247-981-3
- DTXSID6067250
- DTXCID1037567
- Isooctyl 9-octadecenoate
- SAUIGQBKPDQYHL-UHFFFAOYSA-N
-
- MDL： MFCD00053820
- Inchi： 1S/C26H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-26(27)28-24-21-18-19-22-25(2)3/h11-12,25H,4-10,13-24H2,1-3H3
- InChI Key： SAUIGQBKPDQYHL-UHFFFAOYSA-N
- SMILES： O(C(CCCCCCCC=CCCCCCCCC)=O)CCCCCC(C)C
Computed Properties
- Exact Mass: 394.3813
- Monoisotopic Mass: 394.381080833g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 28
- Rotatable Bond Count: 22
- Complexity: 346
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 10.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
9-Octadecenoic acid(9Z)-, isooctyl ester Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
26761-50-2 (9-Octadecenoic acid(9Z)-, isooctyl ester) Related Products
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- 16491-36-4(cis-3-Hexenyl butyrate)
- 143485-69-2(13-Docosenoic acid,9-octadecen-1-yl ester)
- 76649-16-6(Ethyl trans-4-decenoate)
- 9004-96-0(Poly(ethylene glycol) Monooleate (Technical Grade ~70%))
- 31501-11-8(cis-3-Hexenyl caproate)
- 21622-01-5(Ethyl 3-cyclopentene-1-carboxylate)
- 5048-50-0(Diethyl trans-4-Cyclohexene-1,2-dicarboxylate)
- 142-77-8(Butyl Oleate)
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