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5129-66-8

5129-66-8 structural image
Product Name: METHYL 12-METHYLTETRADECANOATE
Formula: C16H32O2
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 1786 1786 1771 1777 1771 1785.7 1781.9 1781.6

COMPUTED DESCRIPTORS

Molecular Weight 256.42 g/mol
XLogP3 6.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 13
Exact Mass 256.240230259 g/mol
Monoisotopic Mass 256.240230259 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 18
Formal Charge 0
Complexity 190
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Methyl 12-methyltetradecanoate is a fatty acid methyl ester resulting from the formal condensation of the carboxy group of 12-methyltetradecanoic acid (12-methylmyristic acid) with methanol. It has a role as a plant metabolite. It is functionally related to a 12-methyltetradecanoic acid.