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Home > Other Heterocycles > 30460-77-6
30460-77-6 | Bicyclo[3.1.1]heptan-2-one, 4,4,6,6-tetramethyl-, (1S,5S)-
CAS No: 30460-77-6 Catalog No: AG00306S MDL No:
Product Description
Catalog Number:
AG00306S
Chemical Name:
Bicyclo[3.1.1]heptan-2-one, 4,4,6,6-tetramethyl-, (1S,5S)-
CAS Number:
30460-77-6
Molecular Formula:
C11H18O
Molecular Weight:
166.2600
IUPAC Name:
(1S,5S)-4,4,6,6-tetramethylbicyclo[3.1.1]heptan-2-one
InChI:
InChI=1S/C11H18O/c1-10(2)6-8(12)7-5-9(10)11(7,3)4/h7,9H,5-6H2,1-4H3/t7-,9+/m1/s1
InChI Key:
COBKZXSVCCODQR-APPZFPTMSA-N
SMILES:
O=C1CC(C)(C)[C@@H]2C[C@H]1C2(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
166.136g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.264g/mol
Monoisotopic Mass:
166.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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