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86333-01-9 | Cyclohexene, 4-(1,1-dimethylethyl)-1-(iodomethyl)-
CAS No: 86333-01-9 Catalog No: AG004QW2 MDL No:
Product Description
Catalog Number:
AG004QW2
Chemical Name:
Cyclohexene, 4-(1,1-dimethylethyl)-1-(iodomethyl)-
CAS Number:
86333-01-9
Molecular Formula:
C11H19I
Molecular Weight:
278.1730
IUPAC Name:
4-tert-butyl-1-(iodomethyl)cyclohexene
InChI:
InChI=1S/C11H19I/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4,10H,5-8H2,1-3H3
InChI Key:
MSKHZRPCAWOUER-UHFFFAOYSA-N
SMILES:
ICC1=CCC(CC1)C(C)(C)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.177g/mol
Monoisotopic Mass:
278.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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