Home Other Building Blocks 4-tert-butylcycloheptan-1-one

4-tert-butylcycloheptan-1-one

CAS No.:
5932-62-7
Catalog Number:
AG01AKYX
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
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Product Description
Catalog Number:
AG01AKYX
Chemical Name:
4-tert-butylcycloheptan-1-one
CAS Number:
5932-62-7
Molecular Formula:
C11H20O
Molecular Weight:
168.2759
MDL Number:
MFCD22566096
IUPAC Name:
4-tert-butylcycloheptan-1-one
InChI:
InChI=1S/C11H20O/c1-11(2,3)9-5-4-6-10(12)8-7-9/h9H,4-8H2,1-3H3
InChI Key:
PDCFNNIMYIKGMD-UHFFFAOYSA-N
SMILES:
O=C1CCCC(CC1)C(C)(C)C
NSC Number:
106333
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.151g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.28g/mol
Monoisotopic Mass:
168.151g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties