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Home > Other Heterocycles > 78219-79-1
78219-79-1 | 1-PENTYL-4-PROPAN-2-YL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE
CAS No: 78219-79-1 Catalog No: AG005CHT MDL No:
Product Description
Catalog Number:
AG005CHT
Chemical Name:
1-PENTYL-4-PROPAN-2-YL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE
CAS Number:
78219-79-1
Molecular Formula:
C13H24O3
Molecular Weight:
228.3279
IUPAC Name:
1-pentyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C13H24O3/c1-4-5-6-7-13-14-8-12(9-15-13,10-16-13)11(2)3/h11H,4-10H2,1-3H3
InChI Key:
UNGGCBFMTPPGFF-UHFFFAOYSA-N
SMILES:
CCCCCC12OCC(CO1)(CO2)C(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.173g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.332g/mol
Monoisotopic Mass:
228.173g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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