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Home > Other Heterocycles > 138345-00-3
138345-00-3 | 1-Oxaspiro[4.5]deca-6,9-dien-8-one, 7,9-bis(1,1-dimethylethyl)-
CAS No: 138345-00-3 Catalog No: AG0018L8 MDL No:
Product Description
Catalog Number:
AG0018L8
Chemical Name:
1-Oxaspiro[4.5]deca-6,9-dien-8-one, 7,9-bis(1,1-dimethylethyl)-
CAS Number:
138345-00-3
Molecular Formula:
C17H26O2
Molecular Weight:
262.3871
IUPAC Name:
7,9-ditert-butyl-1-oxaspiro[4.5]deca-6,9-dien-8-one
InChI:
InChI=1S/C17H26O2/c1-15(2,3)12-10-17(8-7-9-19-17)11-13(14(12)18)16(4,5)6/h10-11H,7-9H2,1-6H3
InChI Key:
NXVCHTCAMYVBEC-UHFFFAOYSA-N
SMILES:
O=C1C(=CC2(C=C1C(C)(C)C)CCCO2)C(C)(C)C
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.193g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.393g/mol
Monoisotopic Mass:
262.193g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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