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22419-28-9,MFCD31735939
Catalog No.:AA007OF5
22419-28-9 | 2-Butanol, 4-(1,1-dimethylethoxy)-2-methyl-
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100mg
95%
2 weeks  
$1,643.00
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  • Technical Information
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Technical Information
Catalog Number:
AA007OF5
Chemical Name:
2-Butanol, 4-(1,1-dimethylethoxy)-2-methyl-
CAS Number:
22419-28-9
Molecular Formula:
C9H20O2
Molecular Weight:
160.2539
MDL Number:
MFCD31735939
IUPAC Name:
2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-ol
InChI:
InChI=1S/C9H20O2/c1-8(2,3)11-7-6-9(4,5)10/h10H,6-7H2,1-5H3
InChI Key:
RVGRHAFZEQEHNE-UHFFFAOYSA-N
SMILES:
CC(CCOC(C)(C)C)(O)C
Properties
Computed Properties
 
Complexity:
111  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.146g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.257g/mol
Monoisotopic Mass:
160.146g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

Synonyms
 
22419-28-9 
2-Butanol, 4-(1,1-dimethylethoxy)-2-methyl- 
SCHEMBL12122927 
CTK0I8526 
DTXSID90568285 
4-tert-Butoxy-2-methylbutan-2-ol 
4-(tert-Butyloxy)-2-methyl-2-butanol 
4-(tert-butoxy)-2-methylbutan-2-ol 
Literature
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