Cas no 18993-10-7 (Tetradecanoic acid,13-oxo-, methyl ester)
18993-10-7 structure
Product Name:Tetradecanoic acid,13-oxo-, methyl ester
CAS No:18993-10-7
MF:C15H28O3
MW:256.381025314331
CID:123288
PubChem ID:537012
Update Time:2025-04-18
Tetradecanoic acid,13-oxo-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Tetradecanoic acid,13-oxo-, methyl ester
- 13-Oxomyristic acid methyl ester
- 13-Ketomyristic acid methyl ester
- 12-Acetyllauric acid methyl ester
- 13-Oxotetradecanoic acid methyl ester
- Tetradecanoic acid, 13-oxo-, methyl ester
- RPMDDORIKABZOA-UHFFFAOYSA-N
- 13-oxo-tetradecanoic acid methylester
- Methyl ester of 13-Oxotetradecanoic acid
- SCHEMBL7941508
- CHEBI:188536
- 18993-10-7
- Methyl 13-oxotetradecanoate
- Methyl 13-oxotetradecanoate #
-
- Inchi： 1S/C15H28O3/c1-14(16)12-10-8-6-4-3-5-7-9-11-13-15(17)18-2/h3-13H2,1-2H3
- InChI Key： RPMDDORIKABZOA-UHFFFAOYSA-N
- SMILES： O(C)C(CCCCCCCCCCCC(C)=O)=O
Computed Properties
- Exact Mass: 256.20394
- Monoisotopic Mass: 256.204
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 13
- Complexity: 224
- 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: 4.2
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
Tetradecanoic acid,13-oxo-, methyl ester Related Literature
-
Pat Haug,H. K. Schnoes,A. L. Burlingame Chem. Commun. (London) 1967 1130
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