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6626-33-1

6626-33-1 structural image
Product Name: 3,8-DIMETHYL-4,6-DECADIYNE-3,8-DIOL
Formula: C12H18O2
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COMPUTED DESCRIPTORS

Molecular Weight 194.27 g/mol
XLogP3 1.5
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 5
Exact Mass 194.130679813 g/mol
Monoisotopic Mass 194.130679813 g/mol
Topological Polar Surface Area 40.5 Ų
Heavy Atom Count 14
Formal Charge 0
Complexity 285
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 2
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

3,8-dimethyldeca-4,6-diyne-3,8-diol is an acetylenic compound that is deca-4,6-diyne substituted by methyl groups at positions 3 and 8 and hydroxy groups at positions 3 and 8 respectively. It has a role as a metabolite. It is an acetylenic compound and a diol.