Home Other Building Blocks 3-METHYL-3-HEXANOL

3-METHYL-3-HEXANOL

CAS No.:
597-96-6
Catalog Number:
AG003JPN
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003JPN
Chemical Name:
3-METHYL-3-HEXANOL
CAS Number:
597-96-6
MDL Number:
MFCD00021839
IUPAC Name:
3-methylhexan-3-ol
InChI:
InChI=1S/C7H16O/c1-4-6-7(3,8)5-2/h8H,4-6H2,1-3H3
InChI Key:
KYWJZCSJMOILIZ-UHFFFAOYSA-N
EC Number:
209-910-4
NSC Number:
27229
Properties
Complexity:
61.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.12g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
116.204g/mol
Monoisotopic Mass:
116.12g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
A comparison of lipase-catalysed ester and lactone synthesis in low-water systems: analysis of optimum water activity. Biotechnology and bioengineering 20020320
Properties