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Home > Other Heterocycles > 30860-35-6
30860-35-6 | 3-Oxabicyclo[3.2.1]octan-2-one, 1,8,8-trimethyl-, (1R,5S)-
CAS No: 30860-35-6 Catalog No: AG0031IP MDL No:
Product Description
Catalog Number:
AG0031IP
Chemical Name:
3-Oxabicyclo[3.2.1]octan-2-one, 1,8,8-trimethyl-, (1R,5S)-
CAS Number:
30860-35-6
Molecular Formula:
C10H16O2
Molecular Weight:
168.2328
IUPAC Name:
(1R,5S)-1,8,8-trimethyl-3-oxabicyclo[3.2.1]octan-2-one
InChI:
InChI=1S/C10H16O2/c1-9(2)7-4-5-10(9,3)8(11)12-6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
InChI Key:
RRAKNOYKYSYKGN-XCBNKYQSSA-N
SMILES:
O=C1OC[C@@H]2C([C@@]1(C)CC2)(C)C
Properties
Complexity:
232
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:
2.2
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