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88373-62-0

88373-62-0 | 1,3-Dioxane-4,6-dione, 5-(3,7-dimethyl-1-oxo-7-octenyl)-2,2-dimethyl-

CAS No: 88373-62-0 Catalog No: AG004FZ5 MDL No:

Product Description

Catalog Number:
AG004FZ5
Chemical Name:
1,3-Dioxane-4,6-dione, 5-(3,7-dimethyl-1-oxo-7-octenyl)-2,2-dimethyl-
CAS Number:
88373-62-0
Molecular Formula:
C16H24O5
Molecular Weight:
296.3588
IUPAC Name:
5-(3,7-dimethyloct-7-enoyl)-2,2-dimethyl-1,3-dioxane-4,6-dione
InChI:
InChI=1S/C16H24O5/c1-10(2)7-6-8-11(3)9-12(17)13-14(18)20-16(4,5)21-15(13)19/h11,13H,1,6-9H2,2-5H3
InChI Key:
UCFRCFURVCUJCB-UHFFFAOYSA-N
SMILES:
CC(CC(=O)C1C(=O)OC(OC1=O)(C)C)CCCC(=C)C

Properties

Complexity:
430  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.162g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.363g/mol
Monoisotopic Mass:
296.162g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  

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