Cas no 61415-12-1 (2-Propenoic acid, 3-phenyl-, octadecyl ester, (E)-)
61415-12-1 structure
Product Name:2-Propenoic acid, 3-phenyl-, octadecyl ester, (E)-
CAS No:61415-12-1
MF:C27H44O2
MW:400.637068748474
CID:480348
PubChem ID:71396090
Update Time:2025-04-19
2-Propenoic acid, 3-phenyl-, octadecyl ester, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoic acid, 3-phenyl-, octadecyl ester, (E)-
- octadecyl 3-phenylprop-2-enoate
- SCHEMBL19460592
- DTXSID80817673
- 61415-12-1
-
- Inchi： 1S/C27H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-29-27(28)24-23-26-21-18-17-19-22-26/h17-19,21-24H,2-16,20,25H2,1H3
- InChI Key： FOMPJQRYRSPXOW-UHFFFAOYSA-N
- SMILES： O(C(C=CC1C=CC=CC=1)=O)CCCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 400.33432
- Monoisotopic Mass: 400.334130642g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 29
- Rotatable Bond Count: 20
- Complexity: 382
- 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: 11.5
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
2-Propenoic acid, 3-phenyl-, octadecyl ester, (E)- Related Literature
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
61415-12-1 (2-Propenoic acid, 3-phenyl-, octadecyl ester, (E)-) Related Products
- 7778-83-8(Propyl cinnamate)
- 7779-65-9(Isopentyl cinnamate)
- 103-36-6(Ethyl cinnamate)
- 4610-69-9(cis-Ethyl Cinnamate (contains up to 10% Ethyl dihydrocinnamate))
- 20511-20-0(Ethyl 4-Methylcinnamate)
- 3487-99-8(Pentyl cinnamate)
- 122-67-8(2-Propenoic acid, 3-phenyl-, 2-methylpropyl ester)
- 122-69-0(2-Propenoic acid, 3-phenyl-, 3-phenyl-2-propenyl ester)
- 10032-08-3(Heptyl cinnamate)
- 1866-31-5(Allyl cinnamate)
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