Cas no 2380-21-4 (Octadecanoic acid, 6-oxo-, methyl ester)
2380-21-4 structure
Product Name:Octadecanoic acid, 6-oxo-, methyl ester
CAS No:2380-21-4
MF:C19H36O3
MW:312.48734664917
CID:1415124
PubChem ID:594080
Update Time:2025-04-20
Octadecanoic acid, 6-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octadecanoic acid, 6-oxo-, methyl ester
- methyl 6-oxooctadecanoate
- NTGKIGJRNOPHEY-UHFFFAOYSA-N
- Methyl 6-oxooctadecanoate #
- Methyl-6-oxodecanoate
- methyl 6-ketostearate
- DTXSID30344040
- 2380-21-4
-
- Inchi： 1S/C19H36O3/c1-3-4-5-6-7-8-9-10-11-12-15-18(20)16-13-14-17-19(21)22-2/h3-17H2,1-2H3
- InChI Key： NTGKIGJRNOPHEY-UHFFFAOYSA-N
- SMILES： O=C(CCCCC(=O)OC)CCCCCCCCCCCC
Computed Properties
- Exact Mass: 312.26658
- Monoisotopic Mass: 312.26644501g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 17
- Complexity: 274
- 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: 6.3
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Octadecanoic acid, 6-oxo-, methyl ester Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
2380-21-4 (Octadecanoic acid, 6-oxo-, methyl ester) Related Products
- 2052-15-5(Butyl 4-oxopentanoate)
- 112-39-0(Methyl palmitate)
- 110-42-9(Methyl decanoate)
- 539-88-8(Ethyl levulinate)
- 627-91-8(Monomethyl adipate)
- 627-93-0(Dimethyl adipate)
- 1731-79-9(Dimethyl dodecanedioate)
- 1732-09-8(Dimethyl octanedioate)
- 1830-54-2(Dimethyl acetone-1,3-dicarboxylate)
- 624-45-3(Methyl levulinate)
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