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1320-98-5

1320-98-5 structural image
Product Name: 4-METHYL-1-PENTANOL
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CHEMICAL AND PHYSICAL PROPERTIES

Vapor Pressure 1.7 [mmHg]
Kovats Retention Index 851 852.6 839 840 866 868 821 823 827 838 827 821 827 827 839 827 838 821 821 838
Chemical Classes Solvents -> Alcohols (<C12)

COMPUTED DESCRIPTORS

Molecular Weight 102.17 g/mol
XLogP3 1.6
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 3
Exact Mass 102.104465066 g/mol
Monoisotopic Mass 102.104465066 g/mol
Topological Polar Surface Area 20.2 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 33.2
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

4-methylpentan-1-ol is a primary alcohol that is pentan-1-ol bearing an additional methyl substituent at position 4. It has a role as a metabolite. It is a primary alcohol and an alkyl alcohol.