Cas no 103576-47-2 (Methyl 3-oxo-2-tetradecanoyloctadecanoate)
103576-47-2 structure
Product Name:Methyl 3-oxo-2-tetradecanoyloctadecanoate
CAS No:103576-47-2
MF:C33H62O4
MW:522.842991352081
CID:2623531
PubChem ID:13915230
Update Time:2025-04-21
Methyl 3-oxo-2-tetradecanoyloctadecanoate Chemical and Physical Properties
Names and Identifiers
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- DTXSID90552442
- DTXCID20503225
- 103576-47-2
- METHYL 3-OXO-2-TETRADECANOYLOCTADECANOATE
- Methyl 3-oxo-2-tetradecanoyloctadecanoate
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- Inchi： 1S/C33H62O4/c1-4-6-8-10-12-14-16-17-19-21-23-25-27-29-31(35)32(33(36)37-3)30(34)28-26-24-22-20-18-15-13-11-9-7-5-2/h32H,4-29H2,1-3H3
- InChI Key： FMYSWTLMSSCYFQ-UHFFFAOYSA-N
- SMILES： O=C(C(C(=O)OC)C(CCCCCCCCCCCCC)=O)CCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 522.46481045Da
- Monoisotopic Mass: 522.46481045Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 37
- Rotatable Bond Count: 30
- Complexity: 542
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 13.5
- Topological Polar Surface Area: 60.4?2
Methyl 3-oxo-2-tetradecanoyloctadecanoate Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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