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Home > Other Heterocycles > 114496-13-8
114496-13-8 | 2,6,7-Trioxabicyclo[2.2.2]octane, 4-(1,1-dimethylethyl)-1-hexyl-
CAS No: 114496-13-8 Catalog No: AG000EKF MDL No:
Product Description
Catalog Number:
AG000EKF
Chemical Name:
2,6,7-Trioxabicyclo[2.2.2]octane, 4-(1,1-dimethylethyl)-1-hexyl-
CAS Number:
114496-13-8
Molecular Formula:
C15H28O3
Molecular Weight:
256.3810
IUPAC Name:
4-tert-butyl-1-hexyl-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C15H28O3/c1-5-6-7-8-9-15-16-10-14(11-17-15,12-18-15)13(2,3)4/h5-12H2,1-4H3
InChI Key:
JUSQTFLPBGNWHK-UHFFFAOYSA-N
SMILES:
CCCCCCC12OCC(CO1)(CO2)C(C)(C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.204g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.386g/mol
Monoisotopic Mass:
256.204g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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