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Home > Other Heterocycles > 88329-21-9
88329-21-9 | 1-Oxaspiro[2.5]octane, 6-(1,1-dimethylethyl)-2-ethenyl-
CAS No: 88329-21-9 Catalog No: AG0047CO MDL No:
Product Description
Catalog Number:
AG0047CO
Chemical Name:
1-Oxaspiro[2.5]octane, 6-(1,1-dimethylethyl)-2-ethenyl-
CAS Number:
88329-21-9
Molecular Formula:
C13H22O
Molecular Weight:
194.3132
IUPAC Name:
6-tert-butyl-2-ethenyl-1-oxaspiro[2.5]octane
InChI:
InChI=1S/C13H22O/c1-5-11-13(14-11)8-6-10(7-9-13)12(2,3)4/h5,10-11H,1,6-9H2,2-4H3
InChI Key:
FRIJXDNVPJMUNQ-UHFFFAOYSA-N
SMILES:
C=CC1OC21CCC(CC2)C(C)(C)C
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.167g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.318g/mol
Monoisotopic Mass:
194.167g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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