Home Other Building Blocks ethyl 5,5-dimethylhexanoate

ethyl 5,5-dimethylhexanoate

CAS No.:
104093-22-3
Catalog Number:
AG01CACL
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
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Product Description
Catalog Number:
AG01CACL
Chemical Name:
ethyl 5,5-dimethylhexanoate
CAS Number:
104093-22-3
Molecular Formula:
C10H20O2
Molecular Weight:
172.2646
MDL Number:
MFCD31457185
IUPAC Name:
ethyl 5,5-dimethylhexanoate
InChI:
InChI=1S/C10H20O2/c1-5-12-9(11)7-6-8-10(2,3)4/h5-8H2,1-4H3
InChI Key:
DGIFPHVHSPAVHB-UHFFFAOYSA-N
SMILES:
CCOC(=O)CCCC(C)(C)C
Properties
Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.146g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.268g/mol
Monoisotopic Mass:
172.146g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties