Home Other Building Blocks ethyl 6,6-dimethylheptanoate

ethyl 6,6-dimethylheptanoate

CAS No.:
1803600-08-9
Catalog Number:
AG01BA9R
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
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Product Description
Catalog Number:
AG01BA9R
Chemical Name:
ethyl 6,6-dimethylheptanoate
CAS Number:
1803600-08-9
Molecular Formula:
C11H22O2
Molecular Weight:
186.2912
MDL Number:
MFCD28505730
IUPAC Name:
ethyl 6,6-dimethylheptanoate
InChI:
InChI=1S/C11H22O2/c1-5-13-10(12)8-6-7-9-11(2,3)4/h5-9H2,1-4H3
InChI Key:
XOVZVXMDQBUNFD-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCCC(C)(C)C
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.162g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.295g/mol
Monoisotopic Mass:
186.162g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Properties