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133094-22-1 | Hydroperoxide, 1-ethyl-1,5-dimethylhexyl (9CI)
CAS No: 133094-22-1 Catalog No: AG00148C MDL No:
Product Description
Catalog Number:
AG00148C
Chemical Name:
Hydroperoxide, 1-ethyl-1,5-dimethylhexyl (9CI)
CAS Number:
133094-22-1
Molecular Formula:
C10H22O2
Molecular Weight:
174.2805
IUPAC Name:
6-hydroperoxy-2,6-dimethyloctane
InChI:
InChI=1S/C10H22O2/c1-5-10(4,12-11)8-6-7-9(2)3/h9,11H,5-8H2,1-4H3
InChI Key:
CDJXVDFHMIIAFW-UHFFFAOYSA-N
SMILES:
CCC(CCCC(C)C)(OO)C
Properties
Complexity:
112
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.162g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.284g/mol
Monoisotopic Mass:
174.162g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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