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7485-45-2

7485-45-2 structural image
Product Name: Pentane, 2,3-dimethyl-, (3S)-
Formula: C7H16
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COMPUTED DESCRIPTORS

Molecular Weight 100.20 g/mol
XLogP3 3.4
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 0
Rotatable Bond Count 2
Exact Mass 100.125200510 g/mol
Monoisotopic Mass 100.125200510 g/mol
Topological Polar Surface Area 0 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 37.3
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

2,3-dimethylpentane is an alkane that is pentane substituted by a methyl group at positions 2 and 3. It has a role as a bacterial metabolite. It is an alkane and a volatile organic compound.