Home Other Building Blocks 2,2-DIMETHYL-3-HEXANOL

2,2-DIMETHYL-3-HEXANOL

CAS No.:
4209-90-9
Catalog Number:
AG003FBE
Molecular Formula:
Molecular Weight:
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG003FBE
Chemical Name:
2,2-DIMETHYL-3-HEXANOL
CAS Number:
4209-90-9
MDL Number:
MFCD00021929
IUPAC Name:
2,2-dimethylhexan-3-ol
InChI:
InChI=1S/C8H18O/c1-5-6-7(9)8(2,3)4/h7,9H,5-6H2,1-4H3
InChI Key:
PFHLGQKVKALLMD-UHFFFAOYSA-N
EC Number:
224-135-1
NSC Number:
95419
Properties
Complexity:
71.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.136g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
130.231g/mol
Monoisotopic Mass:
130.136g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Dependence of the enantioselectivity on reversion of layer directions in cholamide inclusion compounds. Chemical communications (Cambridge, England) 20071107
Properties