Home Other Building Blocks 1-(adamantan-1-yl)butane-1,3-dione

1-(adamantan-1-yl)butane-1,3-dione

CAS No.:
82094-52-8
Catalog Number:
AG01AJEA
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
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Product Description
Catalog Number:
AG01AJEA
Chemical Name:
1-(adamantan-1-yl)butane-1,3-dione
CAS Number:
82094-52-8
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
MDL Number:
MFCD09035442
IUPAC Name:
1-(1-adamantyl)butane-1,3-dione
InChI:
InChI=1S/C14H20O2/c1-9(15)2-13(16)14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,2-8H2,1H3
InChI Key:
WXIPGNOIXHPGGJ-UHFFFAOYSA-N
SMILES:
O=C(C12CC3CC(C2)CC(C1)C3)CC(=O)C
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.146g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.312g/mol
Monoisotopic Mass:
220.146g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties