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57006-87-8

57006-87-8 structural image
Product Name: Butane, 1-(1-ethoxyethoxy)-
Formula: C8H18O2
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CHEMICAL AND PHYSICAL PROPERTIES

Boiling Point 148.00 °C. @ 760.00 mm Hg
Kovats Retention Index 872

COMPUTED DESCRIPTORS

Molecular Weight 146.23 g/mol
XLogP3 2.1
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 6
Exact Mass 146.130679813 g/mol
Monoisotopic Mass 146.130679813 g/mol
Topological Polar Surface Area 18.5 Ų
Heavy Atom Count 10
Formal Charge 0
Complexity 64.3
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

1-butoxy-1-ethoxyethane is a diether that is butane substituted by a 1-ethoxyethoxy group at position 1. It has a role as a metabolite.