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Home > Other Heterocycles > 94022-05-6
94022-05-6 | 3-(1,1-DIMETHYLETHYL)-7,12-DIOXASPIRO[5.6]DODECANE
CAS No: 94022-05-6 Catalog No: AG005W2H MDL No:
Product Description
Catalog Number:
AG005W2H
Chemical Name:
3-(1,1-DIMETHYLETHYL)-7,12-DIOXASPIRO[5.6]DODECANE
CAS Number:
94022-05-6
Molecular Formula:
C14H26O2
Molecular Weight:
226.3550
IUPAC Name:
3-tert-butyl-7,12-dioxaspiro[5.6]dodecane
InChI:
InChI=1S/C14H26O2/c1-13(2,3)12-6-8-14(9-7-12)15-10-4-5-11-16-14/h12H,4-11H2,1-3H3
InChI Key:
OLMWBJRNJLFQDE-UHFFFAOYSA-N
SMILES:
CC(C1CCC2(CC1)OCCCCO2)(C)C
EC Number:
301-498-5
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.193g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.36g/mol
Monoisotopic Mass:
226.193g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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