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2D Structure
Also known as: 22348-97-6, Einecs 244-929-1, 3-oxo-tetradecanoic acid methyl ester, Tetradecanoic acid, 3-oxo-, methyl ester, Schembl1376494, Dtxsid10176881
Molecular Formula
C15H28O3
Molecular Weight
256.38  g/mol
InChI Key
DTBSXIIDKUOHEN-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 3-oxotetradecanoate
2.1.2 InChI
InChI=1S/C15H28O3/c1-3-4-5-6-7-8-9-10-11-12-14(16)13-15(17)18-2/h3-13H2,1-2H3
2.1.3 InChI Key
DTBSXIIDKUOHEN-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCCCCCCCCCCC(=O)CC(=O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 22348-97-6

2. Einecs 244-929-1

3. 3-oxo-tetradecanoic Acid Methyl Ester

4. Tetradecanoic Acid, 3-oxo-, Methyl Ester

5. Schembl1376494

6. Dtxsid10176881

7. 3-oxotetradecanoic Acid Methyl Ester

8. Mfcd00673474

9. Zinc72400066

10. Akos015901948

11. Propanedioicacidmonopotassiumsalt

12. Bs-22393

13. Cs-0169302

14. Ft-0628842

15. H11047

16. J-014658

2.3 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 256.38 g/mol
Molecular Formula C15H28O3
XLogP35.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count13
Exact Mass256.20384475 g/mol
Monoisotopic Mass256.20384475 g/mol
Topological Polar Surface Area43.4 Ų
Heavy Atom Count18
Formal Charge0
Complexity224
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1