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Home > Other Heterocycles > 2064-94-0
2064-94-0 | 2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-dihexyl-
CAS No: 2064-94-0 Catalog No: AG002IHP MDL No:
Product Description
Catalog Number:
AG002IHP
Chemical Name:
2,4,8,10-Tetraoxaspiro[5.5]undecane, 3,9-dihexyl-
CAS Number:
2064-94-0
Molecular Formula:
C19H36O4
Molecular Weight:
328.4867
IUPAC Name:
3,9-dihexyl-2,4,8,10-tetraoxaspiro[5.5]undecane
InChI:
InChI=1S/C19H36O4/c1-3-5-7-9-11-17-20-13-19(14-21-17)15-22-18(23-16-19)12-10-8-6-4-2/h17-18H,3-16H2,1-2H3
InChI Key:
NNVYAHMSBATERB-UHFFFAOYSA-N
SMILES:
CCCCCCC1OCC2(CO1)COC(OC2)CCCCCC
NSC Number:
243651
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.261g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.493g/mol
Monoisotopic Mass:
328.261g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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