Home Other Building Blocks 2-methoxy-4-methylpentanal

2-methoxy-4-methylpentanal

CAS No.:
1545048-99-4
Catalog Number:
AG01C3GV
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
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Product Description
Catalog Number:
AG01C3GV
Chemical Name:
2-methoxy-4-methylpentanal
CAS Number:
1545048-99-4
Molecular Formula:
C7H14O2
Molecular Weight:
130.1849
MDL Number:
MFCD24732971
IUPAC Name:
2-methoxy-4-methylpentanal
InChI:
InChI=1S/C7H14O2/c1-6(2)4-7(5-8)9-3/h5-7H,4H2,1-3H3
InChI Key:
DKMGKIOQPSPEFN-UHFFFAOYSA-N
SMILES:
COC(CC(C)C)C=O
Properties
Complexity:
79  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.099g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.187g/mol
Monoisotopic Mass:
130.099g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Stereoselective allyl transfer to chiral alpha-methoxycarbaldehydes: a model study related to the C-9/C-15 fragment of geldanamycin. Bioorganic & medicinal chemistry 20060915
Properties