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4,4-dimethylpentanal

CAS No.:
926-36-3
Catalog Number:
AG01BDXS
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
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Product Description
Catalog Number:
AG01BDXS
Chemical Name:
4,4-dimethylpentanal
CAS Number:
926-36-3
Molecular Formula:
C7H14O
Molecular Weight:
114.1855
MDL Number:
MFCD19622805
IUPAC Name:
4,4-dimethylpentanal
InChI:
InChI=1S/C7H14O/c1-7(2,3)5-4-6-8/h6H,4-5H2,1-3H3
InChI Key:
DZWACSVTJIDBDB-UHFFFAOYSA-N
SMILES:
O=CCCC(C)(C)C
Properties
Complexity:
68.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
114.104g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
114.188g/mol
Monoisotopic Mass:
114.104g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
The Rh4(CO)12-catalyzed hydroformylation of 3,3-dimethylbut-1-ene promoted with HMn(CO)5. Bimetallic catalytic binuclear elimination as an origin for synergism in homogeneous catalysis. Journal of the American Chemical Society 20030507
Properties