Home Other Building Blocks 2-methoxy-3-methylbutan-1-ol

2-methoxy-3-methylbutan-1-ol

CAS No.:
854463-80-2
Catalog Number:
AG01B89R
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
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Product Description
Catalog Number:
AG01B89R
Chemical Name:
2-methoxy-3-methylbutan-1-ol
CAS Number:
854463-80-2
Molecular Formula:
C6H14O2
Molecular Weight:
118.1742
MDL Number:
MFCD28968125
IUPAC Name:
2-methoxy-3-methylbutan-1-ol
InChI:
InChI=1S/C6H14O2/c1-5(2)6(4-7)8-3/h5-7H,4H2,1-3H3
InChI Key:
XBSOZTQTGNCDCA-UHFFFAOYSA-N
SMILES:
COC(C(C)C)CO
Properties
Complexity:
52.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.099g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
118.176g/mol
Monoisotopic Mass:
118.099g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties