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Home > Other Heterocycles > 74615-78-4
74615-78-4 | 8-Oxabicyclo[3.2.1]oct-6-en-3-one, 1,5-dipentyl-
CAS No: 74615-78-4 Catalog No: AG005VY3 MDL No:
Product Description
Catalog Number:
AG005VY3
Chemical Name:
8-Oxabicyclo[3.2.1]oct-6-en-3-one, 1,5-dipentyl-
CAS Number:
74615-78-4
Molecular Formula:
C17H28O2
Molecular Weight:
264.4030
IUPAC Name:
1,5-dipentyl-8-oxabicyclo[3.2.1]oct-6-en-3-one
InChI:
InChI=1S/C17H28O2/c1-3-5-7-9-16-11-12-17(19-16,10-8-6-4-2)14-15(18)13-16/h11-12H,3-10,13-14H2,1-2H3
InChI Key:
PCABLWVGOQTDJV-UHFFFAOYSA-N
SMILES:
CCCCCC12C=CC(O2)(CC(=O)C1)CCCCC
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.209g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.409g/mol
Monoisotopic Mass:
264.209g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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