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Home > Other Heterocycles > 827610-67-3
827610-67-3 | 3-Oxabicyclo[3.1.1]heptan-2-one, 4,4,6,6-tetramethyl-, (1S,5R)-
CAS No: 827610-67-3 Catalog No: AG004YSO MDL No:
Product Description
Catalog Number:
AG004YSO
Chemical Name:
3-Oxabicyclo[3.1.1]heptan-2-one, 4,4,6,6-tetramethyl-, (1S,5R)-
CAS Number:
827610-67-3
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
(1S,5R)-4,4,6,6-tetramethyl-3-oxabicyclo[3.1.1]heptan-2-one
InChI:
InChI=1S/C10H16O2/c1-9(2)6-5-7(9)10(3,4)12-8(6)11/h6-7H,5H2,1-4H3/t6-,7-/m1/s1
InChI Key:
VIXCZKKYZZAZDZ-RNFRBKRXSA-N
SMILES:
O=C1OC(C)(C)[C@@H]2C[C@H]1C2(C)C
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
168.115g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.236g/mol
Monoisotopic Mass:
168.115g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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