Home Other Building Blocks 1-methoxy-4,4-dimethylpentan-2-one

1-methoxy-4,4-dimethylpentan-2-one

CAS No.:
1314923-03-9
Catalog Number:
AG01C3UR
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
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Product Description
Catalog Number:
AG01C3UR
Chemical Name:
1-methoxy-4,4-dimethylpentan-2-one
CAS Number:
1314923-03-9
Molecular Formula:
C8H16O2
Molecular Weight:
144.2114
MDL Number:
MFCD11555954
IUPAC Name:
1-methoxy-4,4-dimethylpentan-2-one
InChI:
InChI=1S/C8H16O2/c1-8(2,3)5-7(9)6-10-4/h5-6H2,1-4H3
InChI Key:
MJACIKKZBVSNPN-UHFFFAOYSA-N
SMILES:
COCC(=O)CC(C)(C)C
Properties
Complexity:
111  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.115g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.214g/mol
Monoisotopic Mass:
144.115g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties