Home Other Building Blocks 1,1-diethoxy-3-methylbutan-2-one

1,1-diethoxy-3-methylbutan-2-one

CAS No.:
6136-94-3
Catalog Number:
AG01BU84
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BU84
Chemical Name:
1,1-diethoxy-3-methylbutan-2-one
CAS Number:
6136-94-3
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
MDL Number:
MFCD11555368
IUPAC Name:
1,1-diethoxy-3-methylbutan-2-one
InChI:
InChI=1S/C9H18O3/c1-5-11-9(12-6-2)8(10)7(3)4/h7,9H,5-6H2,1-4H3
InChI Key:
VAQNGLMBLFXFOT-UHFFFAOYSA-N
SMILES:
CCOC(C(=O)C(C)C)OCC
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.126g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.24g/mol
Monoisotopic Mass:
174.126g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties