Home Other Building Blocks 2-Ethyl-hexaneperoxoic acid 1,1-dimethylethyl ester

2-Ethyl-hexaneperoxoic acid 1,1-dimethylethyl ester

CAS No.:
3006-82-4
Catalog Number:
AG00397G
Molecular Formula:
C12H24O3
Molecular Weight:
216.3172
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Product Description
Catalog Number:
AG00397G
Chemical Name:
2-Ethyl-hexaneperoxoic acid 1,1-dimethylethyl ester
CAS Number:
3006-82-4
Molecular Formula:
C12H24O3
Molecular Weight:
216.3172
MDL Number:
MFCD00072690
IUPAC Name:
tert-butyl 2-ethylhexaneperoxoate
InChI:
InChI=1S/C12H24O3/c1-6-8-9-10(7-2)11(13)14-15-12(3,4)5/h10H,6-9H2,1-5H3
InChI Key:
WYKYCHHWIJXDAO-UHFFFAOYSA-N
SMILES:
CCCCC(C(=O)OOC(C)(C)C)CC
EC Number:
221-110-7
UN Number:
3113
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.173g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.321g/mol
Monoisotopic Mass:
216.173g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties