Cas no 62425-22-3 (Octadecanoic acid, diphenyl-, methyl ester)
62425-22-3 structure
Product Name:Octadecanoic acid, diphenyl-, methyl ester
CAS No:62425-22-3
MF:C31H46O2
MW:450.695749759674
CID:445252
PubChem ID:71386558
Update Time:2025-04-19
Octadecanoic acid, diphenyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octadecanoic acid, diphenyl-, methyl ester
- methyl 2,2-diphenyloctadecanoate
- 62425-22-3
- DTXSID40808729
-
- Inchi: 1S/C31H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-31(30(32)33-2,28-23-18-16-19-24-28)29-25-20-17-21-26-29/h16-21,23-26H,3-15,22,27H2,1-2H3
- InChI Key: MCFVJPVEXFSZBS-UHFFFAOYSA-N
- SMILES: O(C)C(C(C1C=CC=CC=1)(C1C=CC=CC=1)CCCCCCCCCCCCCCCC)=O
Computed Properties
- Exact Mass: 450.34998
- Monoisotopic Mass: 450.349780706g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 33
- Rotatable Bond Count: 19
- Complexity: 455
- 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: 11.7
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Octadecanoic acid, diphenyl-, methyl ester Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
62425-22-3 (Octadecanoic acid, diphenyl-, methyl ester) Related Products
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