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16822-20-1 | 2H-Pyran, 2-(1,1-dimethylethyl)tetrahydro-6-(2-methylpropoxy)-, cis- (9CI)
CAS No: 16822-20-1 Catalog No: AG001XY8 MDL No:
Product Description
Catalog Number:
AG001XY8
Chemical Name:
2H-Pyran, 2-(1,1-dimethylethyl)tetrahydro-6-(2-methylpropoxy)-, cis- (9CI)
CAS Number:
16822-20-1
Molecular Formula:
C13H26O2
Molecular Weight:
214.3443
IUPAC Name:
(2R,6S)-2-tert-butyl-6-(2-methylpropoxy)oxane
InChI:
InChI=1S/C13H26O2/c1-10(2)9-14-12-8-6-7-11(15-12)13(3,4)5/h10-12H,6-9H2,1-5H3/t11-,12+/m1/s1
InChI Key:
LRMLHLDHPFHTET-NEPJUHHUSA-N
SMILES:
CC(CO[C@@H]1CCC[C@@H](O1)C(C)(C)C)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
214.193g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.349g/mol
Monoisotopic Mass:
214.193g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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