CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1373 1373 1373 1374 1378 1370 1373 1371 1372 1373 |
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COMPUTED DESCRIPTORS
Molecular Weight | 200.32 g/mol |
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XLogP3 | 4.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 10 |
Exact Mass | 200.177630004 g/mol |
Monoisotopic Mass | 200.177630004 g/mol |
Topological Polar Surface Area | 26.3 Ų |
Heavy Atom Count | 14 |
Formal Charge | 0 |
Complexity | 132 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Butyl octanoate is an octanoate ester obtained by the formal condensation of the carboxy group of octanoic acid with the hydroxy group of butanol. It has a role as a metabolite. It is functionally related to a butan-1-ol.