Cas no 2380-23-6 (Octadecanoic acid, 8-oxo-, methyl ester)
2380-23-6 structure
Product Name:Octadecanoic acid, 8-oxo-, methyl ester
CAS No:2380-23-6
MF:C19H36O3
MW:312.48734664917
CID:1415157
PubChem ID:604227
Update Time:2025-04-20
Octadecanoic acid, 8-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Octadecanoic acid, 8-oxo-, methyl ester
- methyl 8-oxooctadecanoate
- Methyl 8-oxooctadecanoate #
- Methyl 8-oxostearate
- DTXSID80345401
- WYJRXGALGVIRCQ-UHFFFAOYSA-N
- methyl 8-ketostearate
- SCHEMBL7112187
- 2380-23-6
-
- Inchi： 1S/C19H36O3/c1-3-4-5-6-7-8-9-12-15-18(20)16-13-10-11-14-17-19(21)22-2/h3-17H2,1-2H3
- InChI Key： WYJRXGALGVIRCQ-UHFFFAOYSA-N
- SMILES： O=C(CCCCCCC(=O)OC)CCCCCCCCCC
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: 6.1
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Octadecanoic acid, 8-oxo-, methyl ester Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Eunkyung Choi,Minjoo Ryu,Haeri Lee,Ok-Sang Jung Dalton Trans., 2017,46, 4595-4601
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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