Home Other Building Blocks ethyl 2-ethyl-4-methyl-3-oxopentanoate

ethyl 2-ethyl-4-methyl-3-oxopentanoate

CAS No.:
54285-47-1
Catalog Number:
AG01A31S
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
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Product Description
Catalog Number:
AG01A31S
Chemical Name:
ethyl 2-ethyl-4-methyl-3-oxopentanoate
CAS Number:
54285-47-1
Molecular Formula:
C10H18O3
Molecular Weight:
186.2481
MDL Number:
MFCD00511277
IUPAC Name:
ethyl 2-ethyl-4-methyl-3-oxopentanoate
InChI:
InChI=1S/C10H18O3/c1-5-8(9(11)7(3)4)10(12)13-6-2/h7-8H,5-6H2,1-4H3
InChI Key:
OQONSHOKYQHQLT-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(=O)C(C)C)CC
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.126g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.251g/mol
Monoisotopic Mass:
186.126g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties