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Home > Other Heterocycles > 2060049-98-9
2060049-98-9 | 3-(2-methylbutan-2-yl)-7-oxaspiro[5.6]dodec-9-ene
CAS No: 2060049-98-9 Catalog No: AG01BZNB MDL No:MFCD30488610
Product Description
Catalog Number:
AG01BZNB
Chemical Name:
3-(2-methylbutan-2-yl)-7-oxaspiro[5.6]dodec-9-ene
CAS Number:
2060049-98-9
Molecular Formula:
C16H28O
Molecular Weight:
236.3929
MDL Number:
MFCD30488610
IUPAC Name:
3-(2-methylbutan-2-yl)-7-oxaspiro[5.6]dodec-9-ene
InChI:
InChI=1S/C16H28O/c1-4-15(2,3)14-8-11-16(12-9-14)10-6-5-7-13-17-16/h5,7,14H,4,6,8-13H2,1-3H3
InChI Key:
MVSMYARPLSAXQH-UHFFFAOYSA-N
SMILES:
CCC(C1CCC2(CC1)CCC=CCO2)(C)C
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.214g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.399g/mol
Monoisotopic Mass:
236.214g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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