Home Other Building Blocks 1,1-dimethoxy-4,4-dimethylpentan-3-one

1,1-dimethoxy-4,4-dimethylpentan-3-one

CAS No.:
34553-33-8
Catalog Number:
AG01B7T6
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
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Product Description
Catalog Number:
AG01B7T6
Chemical Name:
1,1-dimethoxy-4,4-dimethylpentan-3-one
CAS Number:
34553-33-8
Molecular Formula:
C9H18O3
Molecular Weight:
174.2374
MDL Number:
MFCD24217177
IUPAC Name:
1,1-dimethoxy-4,4-dimethylpentan-3-one
InChI:
InChI=1S/C9H18O3/c1-9(2,3)7(10)6-8(11-4)12-5/h8H,6H2,1-5H3
InChI Key:
DZNUWPMZNOEILD-UHFFFAOYSA-N
SMILES:
COC(CC(=O)C(C)(C)C)OC
Properties
Complexity:
142  
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:
5  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties