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111376-58-0 | 5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole
CAS No: 111376-58-0 Catalog No: AG0082I2 MDL No:
Product Description
Catalog Number:
AG0082I2
Chemical Name:
5-[(1E)-2,6-dimethylhepta-1,5-dienyl]-1-(2-methylpropyl)imidazole
CAS Number:
111376-58-0
Molecular Formula:
C16H26N2
Molecular Weight:
246.3910
IUPAC Name:
5-(2,6-dimethylhepta-1,5-dienyl)-1-(2-methylpropyl)imidazole
InChI:
InChI=1S/C16H26N2/c1-13(2)7-6-8-15(5)9-16-10-17-12-18(16)11-14(3)4/h7,9-10,12,14H,6,8,11H2,1-5H3
InChI Key:
DZKNFTAYSBGZTK-UHFFFAOYSA-N
SMILES:
CC(Cn1cncc1/C=C(/CCC=C(C)C)\C)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.21g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.398g/mol
Monoisotopic Mass:
246.21g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.8
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